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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:49:56 UTC

Update Date

2023-02-21 17:22:13 UTC

HMDB ID

HMDB0032465

Secondary Accession Numbers

HMDB32465

Metabolite Identification

Common Name

Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated

Description

Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated, also known as 1,11-diamino-3,6,9-triazaundecane or tetren, belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen. Based on a literature review very few articles have been published on Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0032465
     RDKit          3D
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated
 36 35  0  0  0  0  0  0  0  0999 V2000
    4.8905    1.6736    0.1403 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0452    0.2226    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384   -0.4263    1.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7032   -0.1182    0.6262 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2424   -0.8259   -0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650   -0.2544   -1.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -0.1901   -0.2353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8646   -1.3219    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.9726    1.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8740   -0.0742    0.2377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0428    0.4210    0.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7289    1.4083    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1246    0.7813   -1.2059 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103    1.8661    0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7968    2.0765    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587   -0.1190    0.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192   -0.0412   -0.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616   -1.5339    0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1994   -0.1090    2.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4972    0.8764    0.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924   -0.7404   -1.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1217   -1.9235   -0.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794   -0.8828   -1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709    0.7660   -1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3042    0.6850    0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2109   -2.0082    0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2318   -1.9132   -0.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8141   -0.6097    2.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6606   -1.9218    1.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1537   -0.5185   -0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7310   -0.4295    1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7385    0.8773    1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5857    1.9025    0.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9812    2.2015   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8766    1.3584   -1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4550   -0.1821   -1.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  0
  8 26  1  0
  8 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
 11 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 13 36  1  0
M  END

HMDB0032465
     RDKit          3D
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated
 36 35  0  0  0  0  0  0  0  0999 V2000
    4.8905    1.6736    0.1403 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0452    0.2226    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384   -0.4263    1.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7032   -0.1182    0.6262 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2424   -0.8259   -0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650   -0.2544   -1.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -0.1901   -0.2353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8646   -1.3219    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.9726    1.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8740   -0.0742    0.2377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0428    0.4210    0.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7289    1.4083    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1246    0.7813   -1.2059 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103    1.8661    0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7968    2.0765    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587   -0.1190    0.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192   -0.0412   -0.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616   -1.5339    0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1994   -0.1090    2.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4972    0.8764    0.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924   -0.7404   -1.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1217   -1.9235   -0.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794   -0.8828   -1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709    0.7660   -1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3042    0.6850    0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2109   -2.0082    0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2318   -1.9132   -0.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8141   -0.6097    2.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6606   -1.9218    1.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1537   -0.5185   -0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7310   -0.4295    1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7385    0.8773    1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5857    1.9025    0.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9812    2.2015   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8766    1.3584   -1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4550   -0.1821   -1.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  0
  8 26  1  0
  8 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
 11 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 13 36  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -5.390  -4.001   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.947  -4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.056  -3.231   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.613  -3.231   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.389  -3.231   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.946  -3.231   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.055  -4.001   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.612  -4.001   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -6.724  -3.231   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       9.281  -3.231   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      -2.723  -4.001   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       5.279  -4.001   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       1.278  -3.231   0.000  0.00  0.00           N+0
CONECT    1    3    9                                                       
CONECT    2    4   10                                                       
CONECT    3    1   11                                                       
CONECT    4    2   12                                                       
CONECT    5    7   11                                                       
CONECT    6    8   12                                                       
CONECT    7    5   13                                                       
CONECT    8    6   13                                                       
CONECT    9    1                                                            
CONECT   10    2                                                            
CONECT   11    3    5                                                       
CONECT   12    4    6                                                       
CONECT   13    7    8                                                       
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END

COMPND    HMDB0032465
HETATM    1  N1  UNL     1       4.891   1.674   0.140  1.00  0.00           N  
HETATM    2  C1  UNL     1       5.045   0.223   0.085  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.038  -0.426   1.043  1.00  0.00           C  
HETATM    4  N2  UNL     1       2.703  -0.118   0.626  1.00  0.00           N  
HETATM    5  C3  UNL     1       2.242  -0.826  -0.541  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.965  -0.254  -1.054  1.00  0.00           C  
HETATM    7  N3  UNL     1      -0.152  -0.190  -0.235  1.00  0.00           N  
HETATM    8  C5  UNL     1      -0.865  -1.322   0.178  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.062  -0.973   1.046  1.00  0.00           C  
HETATM   10  N4  UNL     1      -2.874  -0.074   0.238  1.00  0.00           N  
HETATM   11  C7  UNL     1      -4.043   0.421   0.930  1.00  0.00           C  
HETATM   12  C8  UNL     1      -4.729   1.408   0.020  1.00  0.00           C  
HETATM   13  N5  UNL     1      -5.125   0.781  -1.206  1.00  0.00           N  
HETATM   14  H1  UNL     1       4.210   1.866   0.929  1.00  0.00           H  
HETATM   15  H2  UNL     1       5.797   2.077   0.467  1.00  0.00           H  
HETATM   16  H3  UNL     1       6.059  -0.119   0.332  1.00  0.00           H  
HETATM   17  H4  UNL     1       4.819  -0.041  -0.973  1.00  0.00           H  
HETATM   18  H5  UNL     1       4.162  -1.534   0.979  1.00  0.00           H  
HETATM   19  H6  UNL     1       4.199  -0.109   2.082  1.00  0.00           H  
HETATM   20  H7  UNL     1       2.497   0.876   0.565  1.00  0.00           H  
HETATM   21  H8  UNL     1       2.992  -0.740  -1.337  1.00  0.00           H  
HETATM   22  H9  UNL     1       2.122  -1.924  -0.353  1.00  0.00           H  
HETATM   23  H10 UNL     1       0.679  -0.883  -1.964  1.00  0.00           H  
HETATM   24  H11 UNL     1       1.171   0.766  -1.513  1.00  0.00           H  
HETATM   25  H12 UNL     1      -0.304   0.685   0.308  1.00  0.00           H  
HETATM   26  H13 UNL     1      -0.211  -2.008   0.771  1.00  0.00           H  
HETATM   27  H14 UNL     1      -1.232  -1.913  -0.670  1.00  0.00           H  
HETATM   28  H15 UNL     1      -1.814  -0.610   2.032  1.00  0.00           H  
HETATM   29  H16 UNL     1      -2.661  -1.922   1.153  1.00  0.00           H  
HETATM   30  H17 UNL     1      -3.154  -0.519  -0.662  1.00  0.00           H  
HETATM   31  H18 UNL     1      -4.731  -0.430   1.084  1.00  0.00           H  
HETATM   32  H19 UNL     1      -3.738   0.877   1.898  1.00  0.00           H  
HETATM   33  H20 UNL     1      -5.586   1.902   0.500  1.00  0.00           H  
HETATM   34  H21 UNL     1      -3.981   2.201  -0.251  1.00  0.00           H  
HETATM   35  H22 UNL     1      -5.877   1.358  -1.682  1.00  0.00           H  
HETATM   36  H23 UNL     1      -5.455  -0.182  -1.081  1.00  0.00           H  
CONECT    1    2   14   15
CONECT    2    3   16   17
CONECT    3    4   18   19
CONECT    4    5   20
CONECT    5    6   21   22
CONECT    6    7   23   24
CONECT    7    8   25
CONECT    8    9   26   27
CONECT    9   10   28   29
CONECT   10   11   30
CONECT   11   12   31   32
CONECT   12   13   33   34
CONECT   13   35   36
END

HMDB0032465
     RDKit          3D
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated
 36 35  0  0  0  0  0  0  0  0999 V2000
    4.8905    1.6736    0.1403 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0452    0.2226    0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384   -0.4263    1.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7032   -0.1182    0.6262 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2424   -0.8259   -0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650   -0.2544   -1.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -0.1901   -0.2353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8646   -1.3219    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.9726    1.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8740   -0.0742    0.2377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0428    0.4210    0.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7289    1.4083    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1246    0.7813   -1.2059 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103    1.8661    0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7968    2.0765    0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587   -0.1190    0.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192   -0.0412   -0.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616   -1.5339    0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1994   -0.1090    2.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4972    0.8764    0.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924   -0.7404   -1.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1217   -1.9235   -0.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6794   -0.8828   -1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709    0.7660   -1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3042    0.6850    0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2109   -2.0082    0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2318   -1.9132   -0.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8141   -0.6097    2.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6606   -1.9218    1.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1537   -0.5185   -0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7310   -0.4295    1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7385    0.8773    1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5857    1.9025    0.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9812    2.2015   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8766    1.3584   -1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4550   -0.1821   -1.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  0
  8 26  1  0
  8 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
 11 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 13 36  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1,11-Diamino-3,6,9-triazaundecane	ChEBI
1,4,7,10,13-Pentaazatridecane	ChEBI
3,6,9-Triazaundecamethylenediamine	ChEBI
3,6,9-Triazaundecane-1,11-diamine	ChEBI
N-(2-Aminoethyl)-n'-[2-[(2-aminoethyl)amino]ethyl]-1,2-ethanediamine	ChEBI
TEPA	ChEBI
Tetraethylenpentamin	ChEBI
Tetren	ChEBI
PAW	HMDB
Tetraen	HMDB
Tetraethylene pentamine	HMDB
Tetraethylenepentamine pentahydrochloride	HMDB
Tetraethylpentylamine	HMDB
Tetrene	HMDB

Chemical Formula

C₈H₂₃N₅

Average Molecular Weight

189.3017

Monoisotopic Molecular Weight

189.195345761

IUPAC Name

(2-aminoethyl)[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amine

Traditional Name

tetraethylenepentamine

CAS Registry Number

27233-92-7

SMILES

NCCNCCNCCNCCN

InChI Identifier

InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2

InChI Key

FAGUFWYHJQFNRV-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

Dialkylamines

Alternative Parents

Substituents

Secondary aliphatic amine
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Primary aliphatic amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

polyazaalkane (CHEBI:49798 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0032465)
Cytoplasm (HMDB: HMDB0032465)

Source

Endogenous

Endogenous (HMDB: HMDB0032465)

Exogenous

Food

Food (HMDB: HMDB0032465)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.11 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-2.5	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Basic)	9.81	ChemAxon
Physiological Charge	3	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	88.13 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	56.04 m³·mol⁻¹	ChemAxon
Polarizability	23.45 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	144.735	31661259
DarkChem	[M-H]-	139.819	31661259
DeepCCS	[M+H]+	139.712	30932474
DeepCCS	[M-H]-	136.41	30932474
DeepCCS	[M-2H]-	173.429	30932474
DeepCCS	[M+Na]+	148.762	30932474
AllCCS	[M+H]+	142.0	32859911
AllCCS	[M+H-H2O]+	138.6	32859911
AllCCS	[M+NH4]+	145.2	32859911
AllCCS	[M+Na]+	146.1	32859911
AllCCS	[M-H]-	147.5	32859911
AllCCS	[M+Na-2H]-	149.1	32859911
AllCCS	[M+HCOO]-	151.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated	NCCNCCNCCNCCN	2651.9	Standard polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated	NCCNCCNCCNCCN	1867.3	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated	NCCNCCNCCNCCN	1712.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,1TMS,isomer #1	C[Si](C)(C)NCCNCCNCCNCCN	2157.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,1TMS,isomer #1	C[Si](C)(C)NCCNCCNCCNCCN	1894.7	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,1TMS,isomer #2	C[Si](C)(C)N(CCN)CCNCCNCCN	2062.8	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,1TMS,isomer #2	C[Si](C)(C)N(CCN)CCNCCNCCN	1885.5	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,1TMS,isomer #3	C[Si](C)(C)N(CCNCCN)CCNCCN	2077.5	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,1TMS,isomer #3	C[Si](C)(C)N(CCNCCN)CCNCCN	1865.4	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #1	C[Si](C)(C)NCCNCCNCCNCCN[Si](C)(C)C	2274.1	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #1	C[Si](C)(C)NCCNCCNCCNCCN[Si](C)(C)C	2093.6	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #2	C[Si](C)(C)N(CCNCCNCCNCCN)[Si](C)(C)C	2266.3	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #2	C[Si](C)(C)N(CCNCCNCCNCCN)[Si](C)(C)C	2191.8	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #3	C[Si](C)(C)NCCN(CCNCCNCCN)[Si](C)(C)C	2159.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #3	C[Si](C)(C)NCCN(CCNCCNCCN)[Si](C)(C)C	2109.1	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #4	C[Si](C)(C)NCCNCCN(CCNCCN)[Si](C)(C)C	2141.6	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #4	C[Si](C)(C)NCCNCCN(CCNCCN)[Si](C)(C)C	2087.2	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #5	C[Si](C)(C)NCCNCCNCCN(CCN)[Si](C)(C)C	2106.0	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #5	C[Si](C)(C)NCCNCCNCCN(CCN)[Si](C)(C)C	2152.1	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #6	C[Si](C)(C)N(CCN)CCN(CCNCCN)[Si](C)(C)C	2071.5	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #6	C[Si](C)(C)N(CCN)CCN(CCNCCN)[Si](C)(C)C	2106.3	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #7	C[Si](C)(C)N(CCN)CCNCCN(CCN)[Si](C)(C)C	2047.9	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TMS,isomer #7	C[Si](C)(C)N(CCN)CCNCCN(CCN)[Si](C)(C)C	2127.7	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #1	C[Si](C)(C)NCCNCCNCCNCCN([Si](C)(C)C)[Si](C)(C)C	2356.1	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #1	C[Si](C)(C)NCCNCCNCCNCCN([Si](C)(C)C)[Si](C)(C)C	2348.3	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #10	C[Si](C)(C)N(CCN)CCN(CCN(CCN)[Si](C)(C)C)[Si](C)(C)C	2163.7	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #10	C[Si](C)(C)N(CCN)CCN(CCN(CCN)[Si](C)(C)C)[Si](C)(C)C	2337.1	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #2	C[Si](C)(C)NCCNCCNCCN(CCN[Si](C)(C)C)[Si](C)(C)C	2203.6	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #2	C[Si](C)(C)NCCNCCNCCN(CCN[Si](C)(C)C)[Si](C)(C)C	2354.0	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #3	C[Si](C)(C)NCCNCCN(CCNCCN[Si](C)(C)C)[Si](C)(C)C	2180.7	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #3	C[Si](C)(C)NCCNCCN(CCNCCN[Si](C)(C)C)[Si](C)(C)C	2319.7	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #4	C[Si](C)(C)N(CCNCCNCCN)CCN([Si](C)(C)C)[Si](C)(C)C	2301.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #4	C[Si](C)(C)N(CCNCCNCCN)CCN([Si](C)(C)C)[Si](C)(C)C	2356.8	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #5	C[Si](C)(C)N(CCNCCN)CCNCCN([Si](C)(C)C)[Si](C)(C)C	2284.3	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #5	C[Si](C)(C)N(CCNCCN)CCNCCN([Si](C)(C)C)[Si](C)(C)C	2372.2	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #6	C[Si](C)(C)N(CCN)CCNCCNCCN([Si](C)(C)C)[Si](C)(C)C	2247.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #6	C[Si](C)(C)N(CCN)CCNCCNCCN([Si](C)(C)C)[Si](C)(C)C	2403.3	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #7	C[Si](C)(C)NCCN(CCN(CCNCCN)[Si](C)(C)C)[Si](C)(C)C	2206.4	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #7	C[Si](C)(C)NCCN(CCN(CCNCCN)[Si](C)(C)C)[Si](C)(C)C	2323.5	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #8	C[Si](C)(C)NCCN(CCNCCN(CCN)[Si](C)(C)C)[Si](C)(C)C	2162.5	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #8	C[Si](C)(C)NCCN(CCNCCN(CCN)[Si](C)(C)C)[Si](C)(C)C	2371.0	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #9	C[Si](C)(C)NCCNCCN(CCN(CCN)[Si](C)(C)C)[Si](C)(C)C	2157.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TMS,isomer #9	C[Si](C)(C)NCCNCCN(CCN(CCN)[Si](C)(C)C)[Si](C)(C)C	2346.6	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #1	C[Si](C)(C)N(CCNCCNCCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2452.3	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #1	C[Si](C)(C)N(CCNCCNCCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2574.4	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #10	C[Si](C)(C)NCCN(CCN(CCN(CCN)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2281.1	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #10	C[Si](C)(C)NCCN(CCN(CCN(CCN)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2499.5	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #2	C[Si](C)(C)NCCN(CCNCCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2352.6	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #2	C[Si](C)(C)NCCN(CCNCCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2563.6	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #3	C[Si](C)(C)NCCNCCN(CCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2336.6	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #3	C[Si](C)(C)NCCNCCN(CCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2543.4	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #4	C[Si](C)(C)NCCNCCNCCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2365.0	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #4	C[Si](C)(C)NCCNCCNCCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2512.2	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #5	C[Si](C)(C)NCCN(CCNCCN(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2212.5	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #5	C[Si](C)(C)NCCN(CCNCCN(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2576.4	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #6	C[Si](C)(C)NCCNCCN(CCN(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2249.3	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #6	C[Si](C)(C)NCCNCCN(CCN(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2511.1	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #7	C[Si](C)(C)N(CCNCCN)CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2384.3	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #7	C[Si](C)(C)N(CCNCCN)CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2510.3	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #8	C[Si](C)(C)N(CCN)CCNCCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2353.7	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #8	C[Si](C)(C)N(CCN)CCNCCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2547.2	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #9	C[Si](C)(C)N(CCN)CCN(CCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2337.3	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TMS,isomer #9	C[Si](C)(C)N(CCN)CCN(CCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2550.7	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #1	C[Si](C)(C)N(CCNCCNCCN([Si](C)(C)C)[Si](C)(C)C)CCN([Si](C)(C)C)[Si](C)(C)C	2544.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #1	C[Si](C)(C)N(CCNCCNCCN([Si](C)(C)C)[Si](C)(C)C)CCN([Si](C)(C)C)[Si](C)(C)C	2689.4	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #2	C[Si](C)(C)N(CCNCCN([Si](C)(C)C)[Si](C)(C)C)CCNCCN([Si](C)(C)C)[Si](C)(C)C	2534.5	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #2	C[Si](C)(C)N(CCNCCN([Si](C)(C)C)[Si](C)(C)C)CCNCCN([Si](C)(C)C)[Si](C)(C)C	2729.3	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #3	C[Si](C)(C)NCCN(CCN(CCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2432.3	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #3	C[Si](C)(C)NCCN(CCN(CCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2677.5	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #4	C[Si](C)(C)NCCN(CCNCCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2451.6	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #4	C[Si](C)(C)NCCN(CCNCCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2677.5	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #5	C[Si](C)(C)NCCNCCN(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2472.9	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #5	C[Si](C)(C)NCCNCCN(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2616.9	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #6	C[Si](C)(C)NCCN(CCN(CCN(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2348.4	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #6	C[Si](C)(C)NCCN(CCN(CCN(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2619.6	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #7	C[Si](C)(C)N(CCN)CCN(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2479.9	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TMS,isomer #7	C[Si](C)(C)N(CCN)CCN(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2653.1	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,6TMS,isomer #1	C[Si](C)(C)N(CCNCCN([Si](C)(C)C)[Si](C)(C)C)CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2677.3	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,6TMS,isomer #1	C[Si](C)(C)N(CCNCCN([Si](C)(C)C)[Si](C)(C)C)CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2765.7	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,6TMS,isomer #2	C[Si](C)(C)N(CCNCCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCN([Si](C)(C)C)[Si](C)(C)C	2678.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,6TMS,isomer #2	C[Si](C)(C)N(CCNCCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCN([Si](C)(C)C)[Si](C)(C)C	2760.1	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,6TMS,isomer #3	C[Si](C)(C)NCCN(CCN(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2605.0	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,6TMS,isomer #3	C[Si](C)(C)NCCN(CCN(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2712.0	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,7TMS,isomer #1	C[Si](C)(C)N(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2795.5	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,7TMS,isomer #1	C[Si](C)(C)N(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2803.5	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCNCCNCCNCCN	2334.1	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCNCCNCCNCCN	2126.1	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCN)CCNCCNCCN	2258.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCN)CCNCCNCCN	2099.7	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CCNCCN)CCNCCN	2288.0	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CCNCCN)CCNCCN	2097.0	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCNCCNCCNCCN[Si](C)(C)C(C)(C)C	2685.0	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCNCCNCCNCCN[Si](C)(C)C(C)(C)C	2525.6	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCNCCNCCNCCN)[Si](C)(C)C(C)(C)C	2665.5	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCNCCNCCNCCN)[Si](C)(C)C(C)(C)C	2552.4	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCN(CCNCCNCCN)[Si](C)(C)C(C)(C)C	2634.3	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCN(CCNCCNCCN)[Si](C)(C)C(C)(C)C	2556.6	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCNCCN(CCNCCN)[Si](C)(C)C(C)(C)C	2602.3	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCNCCN(CCNCCN)[Si](C)(C)C(C)(C)C	2557.0	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCNCCNCCN(CCN)[Si](C)(C)C(C)(C)C	2566.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCNCCNCCN(CCN)[Si](C)(C)C(C)(C)C	2583.5	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCN)CCN(CCNCCN)[Si](C)(C)C(C)(C)C	2562.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCN)CCN(CCNCCN)[Si](C)(C)C(C)(C)C	2546.6	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCN)CCNCCN(CCN)[Si](C)(C)C(C)(C)C	2551.6	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCN)CCNCCN(CCN)[Si](C)(C)C(C)(C)C	2573.5	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCNCCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2965.0	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCNCCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2909.2	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CCN)CCN(CCN(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2855.9	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CCN)CCN(CCN(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2897.8	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCNCCNCCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2903.0	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCNCCNCCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2933.2	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCNCCN(CCNCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2876.1	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCNCCN(CCNCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2936.0	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(CCNCCNCCN)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2958.5	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(CCNCCNCCN)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2906.7	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CCNCCN)CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2960.4	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CCNCCN)CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2914.0	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCN)CCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2935.0	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(CCN)CCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2926.4	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCN(CCN(CCNCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2902.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCN(CCN(CCNCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2917.1	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCN(CCNCCN(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2890.8	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCN(CCNCCN(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2943.9	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCNCCN(CCN(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2846.0	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCNCCN(CCN(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2926.6	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCNCCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3323.4	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCNCCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3214.4	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCN(CCN(CCN(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3172.1	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCN(CCN(CCN(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3171.7	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCN(CCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3272.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCN(CCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3222.3	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCNCCN(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3238.4	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCNCCN(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3229.5	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCNCCNCCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3235.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCNCCNCCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3190.2	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCN(CCNCCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3191.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCN(CCNCCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3238.5	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCNCCN(CCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3162.9	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCNCCN(CCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3201.1	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCNCCN)CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3264.3	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCNCCN)CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3174.9	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(CCN)CCNCCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3224.0	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(CCN)CCNCCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3190.3	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CCN)CCN(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3220.4	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CCN)CCN(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3193.0	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3608.6	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3429.9	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3571.9	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3462.8	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCN(CCN(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3526.7	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCN(CCN(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3426.0	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCN(CCNCCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3530.0	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCN(CCNCCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3418.2	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCNCCN(CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3548.0	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCNCCN(CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3397.6	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCN(CCN(CCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3471.5	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCN(CCN(CCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3384.0	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCN)CCN(CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3565.5	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCN)CCN(CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3393.7	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3893.8	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3635.7	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,6TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCNCCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3901.9	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,6TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCNCCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3629.3	Standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,6TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCN(CCN(CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3861.2	Semi standard non polar	33892256
Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated,6TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCN(CCN(CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3600.6	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated GC-MS (Non-derivatized) - 70eV, Positive	splash10-00si-9600000000-abb2a03e78fe34318a39	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated 10V, Positive-QTOF	splash10-0006-4900000000-cb325c2633ecffc8e1e1	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated 20V, Positive-QTOF	splash10-0006-9400000000-cda3f4fca8f17d61734d	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated 40V, Positive-QTOF	splash10-0006-9000000000-4c55b97d3e963a547ce8	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated 10V, Negative-QTOF	splash10-000i-1900000000-264daccd60a280872c06	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated 20V, Negative-QTOF	splash10-000i-4900000000-b49ee1752841c318a606	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated 40V, Negative-QTOF	splash10-0a4l-9300000000-514ac768f7eb24473e93	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated 10V, Positive-QTOF	splash10-0006-0900000000-df3e72d6d5ad870c9c94	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated 20V, Positive-QTOF	splash10-000i-9500000000-a7988cd2fe4bd76f0a94	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated 40V, Positive-QTOF	splash10-007c-9100000000-acc247135b55a472a36c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated 10V, Negative-QTOF	splash10-000i-0900000000-1ce42077bf3abb6f6a71	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated 20V, Negative-QTOF	splash10-000i-0900000000-e52ecb20db55859d2834	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated 40V, Negative-QTOF	splash10-052f-9300000000-4fae066801947ae890d4	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-04	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB010067

KNApSAcK ID

Not Available

Chemspider ID

7905

KEGG Compound ID

C14690

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

8197

PDB ID

PAW

ChEBI ID

49798

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). EAFUS: Everything Added to Food in the United States.. .

Showing metabocard for Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated (HMDB0032465)

MOL for HMDB0032465 (Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated)

3D MOL for HMDB0032465 (Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated)

3D SDF for HMDB0032465 (Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated)

3D-SDF for HMDB0032465 (Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated)

PDB for HMDB0032465 (Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated)

3D PDB for HMDB0032465 (Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated)

SMILES for HMDB0032465 (Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated)

INCHI for HMDB0032465 (Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated)

Structure for HMDB0032465 (Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated)

3D Structure for HMDB0032465 (Phenol-formaldehyde, cross-linked, tetraethylenepentamine activated)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra