Hmdb loader

Showing metabocard for Triethylenetetramine (HMDB0259196)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 21:40:54 UTC
Update Date2022-11-23 22:29:20 UTC
HMDB IDHMDB0259196
Secondary Accession NumbersNone
Metabolite Identification
Common NameTriethylenetetramine
DescriptionTriethylenetetramine, also known as trien or TETA, 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 a significant number of articles have been published on Triethylenetetramine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Triethylenetetramine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Triethylenetetramine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0259196 (Triethylenetetramine)


  Mrv0541 05031419232D          

 10  9  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
Download

3D MOL for HMDB0259196 (Triethylenetetramine)

HMDB0259196
     RDKit          3D
TRIETHYLENETETRAMINE
 28 27  0  0  0  0  0  0  0  0999 V2000
   -4.3262   -0.1895   -0.1517 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5942    0.8572    0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0814    0.7036    0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6903   -0.5288    0.9676 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2499   -0.7403    0.9152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2251   -0.9824   -0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6449   -1.2064   -0.5268 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333    0.0226   -0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8425   -0.1439   -0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152    1.1532    0.0123 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7598   -0.8757    0.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9731    0.1785   -0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039    1.8333    0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7867    0.9276    1.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7846    0.7232   -0.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5955    1.5795    0.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2053   -1.3646    0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.0588    1.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0955   -1.6575    1.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3228   -1.8258   -0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0073   -0.0444   -1.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9466   -1.6010   -1.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083    0.3035    0.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9781    0.7887   -0.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1212   -0.8822    0.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1633   -0.4718   -1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7264    1.7391    0.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5779    1.6454   -0.9099 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
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
M  END
Download

3D SDF for HMDB0259196 (Triethylenetetramine)


  Mrv0541 05031419232D          

 10  9  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0259196

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCNCCNCCN

> <INCHI_IDENTIFIER>
InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2

> <INCHI_KEY>
VILCJCGEZXAXTO-UHFFFAOYSA-N

> <FORMULA>
C6H18N4

> <MOLECULAR_WEIGHT>
146.2339

> <EXACT_MASS>
146.153146596

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
18.04231606691097

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.84

> <JCHEM_LOGP>
-2.1512495040000004

> <ALOGPS_LOGS>
-0.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA_STRONGEST_BASIC>
9.773593374574192

> <JCHEM_POLAR_SURFACE_AREA>
76.1

> <JCHEM_REFRACTIVITY>
43.31739999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.75e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trien

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0259196 (Triethylenetetramine)

HMDB0259196
     RDKit          3D
TRIETHYLENETETRAMINE
 28 27  0  0  0  0  0  0  0  0999 V2000
   -4.3262   -0.1895   -0.1517 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5942    0.8572    0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0814    0.7036    0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6903   -0.5288    0.9676 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2499   -0.7403    0.9152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2251   -0.9824   -0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6449   -1.2064   -0.5268 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333    0.0226   -0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8425   -0.1439   -0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152    1.1532    0.0123 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7598   -0.8757    0.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9731    0.1785   -0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9039    1.8333    0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7867    0.9276    1.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7846    0.7232   -0.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5955    1.5795    0.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2053   -1.3646    0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.0588    1.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0955   -1.6575    1.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3228   -1.8258   -0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0073   -0.0444   -1.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9466   -1.6010   -1.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1083    0.3035    0.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9781    0.7887   -0.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1212   -0.8822    0.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1633   -0.4718   -1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7264    1.7391    0.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5779    1.6454   -0.9099 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
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
M  END
Download

PDB for HMDB0259196 (Triethylenetetramine)

HEADER    PROTEIN                                 03-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
CONECT    1    3    7                                                       
CONECT    2    4    8                                                       
CONECT    3    1    9                                                       
CONECT    4    2   10                                                       
CONECT    5    6    9                                                       
CONECT    6    5   10                                                       
CONECT    7    1                                                            
CONECT    8    2                                                            
CONECT    9    3    5                                                       
CONECT   10    4    6                                                       
MASTER        0    0    0    0    0    0    0    0   10    0   18    0
END
Download

3D PDB for HMDB0259196 (Triethylenetetramine)

COMPND    HMDB0259196
HETATM    1  N1  UNL     1      -4.326  -0.190  -0.152  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.594   0.857   0.478  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.081   0.704   0.353  1.00  0.00           C  
HETATM    4  N2  UNL     1      -1.690  -0.529   0.968  1.00  0.00           N  
HETATM    5  C3  UNL     1      -0.250  -0.740   0.915  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.225  -0.982  -0.479  1.00  0.00           C  
HETATM    7  N3  UNL     1       1.645  -1.206  -0.527  1.00  0.00           N  
HETATM    8  C5  UNL     1       2.333   0.023  -0.222  1.00  0.00           C  
HETATM    9  C6  UNL     1       3.843  -0.144  -0.316  1.00  0.00           C  
HETATM   10  N4  UNL     1       4.415   1.153   0.012  1.00  0.00           N  
HETATM   11  H1  UNL     1      -4.760  -0.876   0.479  1.00  0.00           H  
HETATM   12  H2  UNL     1      -4.973   0.178  -0.877  1.00  0.00           H  
HETATM   13  H3  UNL     1      -3.904   1.833   0.011  1.00  0.00           H  
HETATM   14  H4  UNL     1      -3.787   0.928   1.585  1.00  0.00           H  
HETATM   15  H5  UNL     1      -1.785   0.723  -0.725  1.00  0.00           H  
HETATM   16  H6  UNL     1      -1.595   1.580   0.824  1.00  0.00           H  
HETATM   17  H7  UNL     1      -2.205  -1.365   0.670  1.00  0.00           H  
HETATM   18  H8  UNL     1       0.279   0.059   1.452  1.00  0.00           H  
HETATM   19  H9  UNL     1      -0.095  -1.658   1.564  1.00  0.00           H  
HETATM   20  H10 UNL     1      -0.323  -1.826  -0.959  1.00  0.00           H  
HETATM   21  H11 UNL     1       0.007  -0.044  -1.083  1.00  0.00           H  
HETATM   22  H12 UNL     1       1.947  -1.601  -1.446  1.00  0.00           H  
HETATM   23  H13 UNL     1       2.108   0.303   0.822  1.00  0.00           H  
HETATM   24  H14 UNL     1       1.978   0.789  -0.923  1.00  0.00           H  
HETATM   25  H15 UNL     1       4.121  -0.882   0.483  1.00  0.00           H  
HETATM   26  H16 UNL     1       4.163  -0.472  -1.320  1.00  0.00           H  
HETATM   27  H17 UNL     1       3.726   1.739   0.538  1.00  0.00           H  
HETATM   28  H18 UNL     1       4.578   1.645  -0.910  1.00  0.00           H  
CONECT    1    2   11   12
CONECT    2    3   13   14
CONECT    3    4   15   16
CONECT    4    5   17
CONECT    5    6   18   19
CONECT    6    7   20   21
CONECT    7    8   22
CONECT    8    9   23   24
CONECT    9   10   25   26
CONECT   10   27   28
END
Download

SMILES for HMDB0259196 (Triethylenetetramine)

NCCNCCNCCN
Download

INCHI for HMDB0259196 (Triethylenetetramine)

InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
N,N'-bis(2-aminoethyl)-1,2-ethanediamineChEBI
TETAChEBI
TrienChEBI
TrientineChEBI
TriethylenetetraamineChEBI
Merck brand OF trientine hydrochlorideMeSH
SyprineMeSH
Trientine dihydrochlorideMeSH
Trientine hydrochlorideMeSH
TriethylenetetramineChEBI
Chemical FormulaC6H18N4
Average Molecular Weight146.2339
Monoisotopic Molecular Weight146.153146596
IUPAC Name(2-aminoethyl)({2-[(2-aminoethyl)amino]ethyl})amine
Traditional Nametrien
CAS Registry NumberNot Available
SMILES
NCCNCCNCCN
InChI Identifier
InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
InChI KeyVILCJCGEZXAXTO-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.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentDialkylamines
Alternative Parents
Substituents
  • Secondary aliphatic amine
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Primary aliphatic amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-1.8ALOGPS
logP-2.2ChemAxon
logS-0.73ALOGPS
pKa (Strongest Basic)9.77ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area76.1 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity43.32 m³·mol⁻¹ChemAxon
Polarizability18.04 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+131.15330932474
DeepCCS[M-H]-128.66430932474
DeepCCS[M-2H]-164.88530932474
DeepCCS[M+Na]+139.97130932474
AllCCS[M+H]+132.832859911
AllCCS[M+H-H2O]+129.032859911
AllCCS[M+NH4]+136.332859911
AllCCS[M+Na]+137.332859911
AllCCS[M-H]-134.832859911
AllCCS[M+Na-2H]-137.332859911
AllCCS[M+HCOO]-140.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
TRIETHYLENETETRAMINENCCNCCNCCN2218.3Standard polar33892256
TRIETHYLENETETRAMINENCCNCCNCCN1415.3Standard non polar33892256
TRIETHYLENETETRAMINENCCNCCNCCN1350.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
TRIETHYLENETETRAMINE,1TMS,isomer #1C[Si](C)(C)NCCNCCNCCN1771.1Semi standard non polar33892256
TRIETHYLENETETRAMINE,1TMS,isomer #1C[Si](C)(C)NCCNCCNCCN1551.9Standard non polar33892256
TRIETHYLENETETRAMINE,1TMS,isomer #1C[Si](C)(C)NCCNCCNCCN3016.7Standard polar33892256
TRIETHYLENETETRAMINE,1TMS,isomer #2C[Si](C)(C)N(CCN)CCNCCN1681.2Semi standard non polar33892256
TRIETHYLENETETRAMINE,1TMS,isomer #2C[Si](C)(C)N(CCN)CCNCCN1558.5Standard non polar33892256
TRIETHYLENETETRAMINE,1TMS,isomer #2C[Si](C)(C)N(CCN)CCNCCN3181.4Standard polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #1C[Si](C)(C)NCCNCCNCCN[Si](C)(C)C1892.5Semi standard non polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #1C[Si](C)(C)NCCNCCNCCN[Si](C)(C)C1766.7Standard non polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #1C[Si](C)(C)NCCNCCNCCN[Si](C)(C)C2500.2Standard polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #2C[Si](C)(C)N(CCNCCNCCN)[Si](C)(C)C1896.0Semi standard non polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #2C[Si](C)(C)N(CCNCCNCCN)[Si](C)(C)C1855.8Standard non polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #2C[Si](C)(C)N(CCNCCNCCN)[Si](C)(C)C2902.5Standard polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #3C[Si](C)(C)NCCN(CCNCCN)[Si](C)(C)C1803.2Semi standard non polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #3C[Si](C)(C)NCCN(CCNCCN)[Si](C)(C)C1783.7Standard non polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #3C[Si](C)(C)NCCN(CCNCCN)[Si](C)(C)C2827.3Standard polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #4C[Si](C)(C)NCCNCCN(CCN)[Si](C)(C)C1742.4Semi standard non polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #4C[Si](C)(C)NCCNCCN(CCN)[Si](C)(C)C1828.6Standard non polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #4C[Si](C)(C)NCCNCCN(CCN)[Si](C)(C)C2648.7Standard polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #5C[Si](C)(C)N(CCN)CCN(CCN)[Si](C)(C)C1705.3Semi standard non polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #5C[Si](C)(C)N(CCN)CCN(CCN)[Si](C)(C)C1813.4Standard non polar33892256
TRIETHYLENETETRAMINE,2TMS,isomer #5C[Si](C)(C)N(CCN)CCN(CCN)[Si](C)(C)C2981.5Standard polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #1C[Si](C)(C)NCCNCCNCCN([Si](C)(C)C)[Si](C)(C)C2003.9Semi standard non polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #1C[Si](C)(C)NCCNCCNCCN([Si](C)(C)C)[Si](C)(C)C2013.5Standard non polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #1C[Si](C)(C)NCCNCCNCCN([Si](C)(C)C)[Si](C)(C)C2270.9Standard polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #2C[Si](C)(C)NCCNCCN(CCN[Si](C)(C)C)[Si](C)(C)C1862.5Semi standard non polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #2C[Si](C)(C)NCCNCCN(CCN[Si](C)(C)C)[Si](C)(C)C2032.5Standard non polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #2C[Si](C)(C)NCCNCCN(CCN[Si](C)(C)C)[Si](C)(C)C2247.9Standard polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #3C[Si](C)(C)N(CCNCCN)CCN([Si](C)(C)C)[Si](C)(C)C1967.4Semi standard non polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #3C[Si](C)(C)N(CCNCCN)CCN([Si](C)(C)C)[Si](C)(C)C2033.9Standard non polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #3C[Si](C)(C)N(CCNCCN)CCN([Si](C)(C)C)[Si](C)(C)C2654.7Standard polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #4C[Si](C)(C)N(CCN)CCNCCN([Si](C)(C)C)[Si](C)(C)C1924.3Semi standard non polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #4C[Si](C)(C)N(CCN)CCNCCN([Si](C)(C)C)[Si](C)(C)C2085.5Standard non polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #4C[Si](C)(C)N(CCN)CCNCCN([Si](C)(C)C)[Si](C)(C)C2519.2Standard polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #5C[Si](C)(C)NCCN(CCN(CCN)[Si](C)(C)C)[Si](C)(C)C1853.2Semi standard non polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #5C[Si](C)(C)NCCN(CCN(CCN)[Si](C)(C)C)[Si](C)(C)C2039.3Standard non polar33892256
TRIETHYLENETETRAMINE,3TMS,isomer #5C[Si](C)(C)NCCN(CCN(CCN)[Si](C)(C)C)[Si](C)(C)C2496.4Standard polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #1C[Si](C)(C)N(CCNCCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2136.1Semi standard non polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #1C[Si](C)(C)N(CCNCCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2245.4Standard non polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #1C[Si](C)(C)N(CCNCCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2137.2Standard polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #2C[Si](C)(C)NCCN(CCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2050.5Semi standard non polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #2C[Si](C)(C)NCCN(CCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2254.9Standard non polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #2C[Si](C)(C)NCCN(CCNCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2142.6Standard polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #3C[Si](C)(C)NCCNCCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2055.4Semi standard non polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #3C[Si](C)(C)NCCNCCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2194.1Standard non polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #3C[Si](C)(C)NCCNCCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2143.6Standard polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #4C[Si](C)(C)NCCN(CCN(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1971.9Semi standard non polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #4C[Si](C)(C)NCCN(CCN(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2215.9Standard non polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #4C[Si](C)(C)NCCN(CCN(CCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2148.2Standard polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #5C[Si](C)(C)N(CCN)CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2046.1Semi standard non polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #5C[Si](C)(C)N(CCN)CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2216.0Standard non polar33892256
TRIETHYLENETETRAMINE,4TMS,isomer #5C[Si](C)(C)N(CCN)CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2408.1Standard polar33892256
TRIETHYLENETETRAMINE,5TMS,isomer #1C[Si](C)(C)N(CCNCCN([Si](C)(C)C)[Si](C)(C)C)CCN([Si](C)(C)C)[Si](C)(C)C2248.6Semi standard non polar33892256
TRIETHYLENETETRAMINE,5TMS,isomer #1C[Si](C)(C)N(CCNCCN([Si](C)(C)C)[Si](C)(C)C)CCN([Si](C)(C)C)[Si](C)(C)C2393.8Standard non polar33892256
TRIETHYLENETETRAMINE,5TMS,isomer #1C[Si](C)(C)N(CCNCCN([Si](C)(C)C)[Si](C)(C)C)CCN([Si](C)(C)C)[Si](C)(C)C2054.5Standard polar33892256
TRIETHYLENETETRAMINE,5TMS,isomer #2C[Si](C)(C)NCCN(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2172.7Semi standard non polar33892256
TRIETHYLENETETRAMINE,5TMS,isomer #2C[Si](C)(C)NCCN(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2340.5Standard non polar33892256
TRIETHYLENETETRAMINE,5TMS,isomer #2C[Si](C)(C)NCCN(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2066.9Standard polar33892256
TRIETHYLENETETRAMINE,6TMS,isomer #1C[Si](C)(C)N(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCN([Si](C)(C)C)[Si](C)(C)C2377.9Semi standard non polar33892256
TRIETHYLENETETRAMINE,6TMS,isomer #1C[Si](C)(C)N(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCN([Si](C)(C)C)[Si](C)(C)C2450.0Standard non polar33892256
TRIETHYLENETETRAMINE,6TMS,isomer #1C[Si](C)(C)N(CCN(CCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCN([Si](C)(C)C)[Si](C)(C)C2025.4Standard polar33892256
TRIETHYLENETETRAMINE,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCNCCNCCN1937.1Semi standard non polar33892256
TRIETHYLENETETRAMINE,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCNCCNCCN1785.5Standard non polar33892256
TRIETHYLENETETRAMINE,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCNCCNCCN3034.7Standard polar33892256
TRIETHYLENETETRAMINE,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCN)CCNCCN1877.0Semi standard non polar33892256
TRIETHYLENETETRAMINE,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCN)CCNCCN1771.6Standard non polar33892256
TRIETHYLENETETRAMINE,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCN)CCNCCN3240.2Standard polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCNCCNCCN[Si](C)(C)C(C)(C)C2298.0Semi standard non polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCNCCNCCN[Si](C)(C)C(C)(C)C2187.4Standard non polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCNCCNCCN[Si](C)(C)C(C)(C)C2449.0Standard polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCNCCNCCN)[Si](C)(C)C(C)(C)C2296.3Semi standard non polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCNCCNCCN)[Si](C)(C)C(C)(C)C2227.6Standard non polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCNCCNCCN)[Si](C)(C)C(C)(C)C2779.5Standard polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCN(CCNCCN)[Si](C)(C)C(C)(C)C2278.5Semi standard non polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCN(CCNCCN)[Si](C)(C)C(C)(C)C2226.1Standard non polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCN(CCNCCN)[Si](C)(C)C(C)(C)C2740.4Standard polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCNCCN(CCN)[Si](C)(C)C(C)(C)C2204.1Semi standard non polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCNCCN(CCN)[Si](C)(C)C(C)(C)C2256.1Standard non polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCNCCN(CCN)[Si](C)(C)C(C)(C)C2629.9Standard polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCN)CCN(CCN)[Si](C)(C)C(C)(C)C2199.5Semi standard non polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCN)CCN(CCN)[Si](C)(C)C(C)(C)C2243.9Standard non polar33892256
TRIETHYLENETETRAMINE,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCN)CCN(CCN)[Si](C)(C)C(C)(C)C2966.1Standard polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2620.8Semi standard non polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2581.2Standard non polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2425.3Standard polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCNCCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2563.6Semi standard non polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCNCCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2605.5Standard non polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCNCCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2444.0Standard polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCNCCN)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2626.1Semi standard non polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCNCCN)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2590.6Standard non polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCNCCN)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2646.9Standard polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCN)CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2590.9Semi standard non polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCN)CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2611.1Standard non polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCN)CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2584.8Standard polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCN(CCN(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2530.4Semi standard non polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCN(CCN(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2599.2Standard non polar33892256
TRIETHYLENETETRAMINE,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCN(CCN(CCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2612.5Standard polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3004.1Semi standard non polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2915.5Standard non polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCNCCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2461.8Standard polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCN(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2932.8Semi standard non polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCN(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2924.8Standard non polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCN(CCNCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2487.5Standard polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCNCCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2923.0Semi standard non polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCNCCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2892.0Standard non polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCNCCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2492.1Standard polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCN(CCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2856.9Semi standard non polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCN(CCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2897.3Standard non polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCN(CCN(CCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2522.9Standard polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCN)CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2923.1Semi standard non polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCN)CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2867.7Standard non polar33892256
TRIETHYLENETETRAMINE,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCN)CCN(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2629.2Standard polar33892256
TRIETHYLENETETRAMINE,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCNCCN([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)C3273.6Semi standard non polar33892256
TRIETHYLENETETRAMINE,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCNCCN([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)C3147.5Standard non polar33892256
TRIETHYLENETETRAMINE,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCNCCN([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)C2514.3Standard polar33892256
TRIETHYLENETETRAMINE,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCN(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)C3241.9Semi standard non polar33892256
TRIETHYLENETETRAMINE,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCN(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)C3112.7Standard non polar33892256
TRIETHYLENETETRAMINE,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCN(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)C2556.6Standard polar33892256
TRIETHYLENETETRAMINE,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCN(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)C3628.2Semi standard non polar33892256
TRIETHYLENETETRAMINE,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCN(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)C3342.4Standard non polar33892256
TRIETHYLENETETRAMINE,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCN(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)C2612.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Triethylenetetramine EI-B (Non-derivatized)splash10-0006-9000000000-dc59b9e5ca78bd735bee2017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Triethylenetetramine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0089-9100000000-38747896528cbe39c8852021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Triethylenetetramine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Triethylenetetramine LC-ESI-QQ , positive-QTOFsplash10-0002-0900000000-a71c042b9b47390002262017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triethylenetetramine LC-ESI-QQ , positive-QTOFsplash10-000i-9200000000-066d71fec24b87eb78fd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triethylenetetramine LC-ESI-QQ , positive-QTOFsplash10-0083-9000000000-30cc8480e8680b6fc4702017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triethylenetetramine LC-ESI-QQ , positive-QTOFsplash10-0006-9000000000-3467a5c3550b900f122e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Triethylenetetramine LC-ESI-QQ , positive-QTOFsplash10-0006-9000000000-c5b8a993b94560436a512017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triethylenetetramine 10V, Positive-QTOFsplash10-0002-5900000000-e3c67396716743f34d032016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triethylenetetramine 20V, Positive-QTOFsplash10-000f-9200000000-d30c6aace44fab59cddb2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triethylenetetramine 40V, Positive-QTOFsplash10-0006-9000000000-964ffc3855d00cef95bb2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triethylenetetramine 10V, Negative-QTOFsplash10-0002-1900000000-d0247f500aa90022874f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triethylenetetramine 20V, Negative-QTOFsplash10-0002-5900000000-33f40df2680c4e21808b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Triethylenetetramine 40V, Negative-QTOFsplash10-0a4l-9100000000-400d3c31a8a4e2f914402016-08-03Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB06824
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID21106175
KEGG Compound IDC07166
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTrientine
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID39501
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1292781
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]