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Showing metabocard for Aminoguanidine (HMDB0248318)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 01:35:00 UTC
Update Date2021-09-26 22:58:32 UTC
HMDB IDHMDB0248318
Secondary Accession NumbersNone
Metabolite Identification
Common NameAminoguanidine
DescriptionAminoguanidine, also known as AG or 2-azanylguanidine, belongs to the class of organic compounds known as guanidines. Guanidines are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5. Based on a literature review a small amount of articles have been published on Aminoguanidine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Aminoguanidine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Aminoguanidine 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0248318 (Aminoguanidine)


  Mrv0541 02231216162D          

  5  4  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
M  END
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3D MOL for HMDB0248318 (Aminoguanidine)

HMDB0248318
     RDKit          3D
Aminoguanidine
 11 10  0  0  0  0  0  0  0  0999 V2000
   -0.4128   -0.3762    1.4298 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3677    0.1550    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5175    0.2041   -0.5627 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946    0.6774   -0.1503 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9309   -0.2648   -0.2978 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2951   -0.7654    1.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4468    0.0118   -0.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4315    0.4328   -1.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0179    1.6810   -0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5477   -0.9601   -1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0802   -0.7957    0.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  1  6  1  0
  3  7  1  0
  3  8  1  0
  4  9  1  0
  5 10  1  0
  5 11  1  0
M  END
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3D SDF for HMDB0248318 (Aminoguanidine)


  Mrv0541 02231216162D          

  5  4  0  0  0  0            999 V2000
    0.8250    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0248318

> <DATABASE_NAME>
hmdb

> <SMILES>
NNC(N)=N

> <INCHI_IDENTIFIER>
InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)

> <INCHI_KEY>
HAMNKKUPIHEESI-UHFFFAOYSA-N

> <FORMULA>
CH6N4

> <MOLECULAR_WEIGHT>
74.0851

> <EXACT_MASS>
74.059246212

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.882774760240139

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-aminoguanidine

> <ALOGPS_LOGP>
-1.76

> <JCHEM_LOGP>
-1.4684813746666663

> <ALOGPS_LOGS>
-0.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
12.01256734572811

> <JCHEM_POLAR_SURFACE_AREA>
87.91999999999999

> <JCHEM_REFRACTIVITY>
40.8357

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.36e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aminoguanidine

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0248318 (Aminoguanidine)

HMDB0248318
     RDKit          3D
Aminoguanidine
 11 10  0  0  0  0  0  0  0  0999 V2000
   -0.4128   -0.3762    1.4298 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3677    0.1550    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5175    0.2041   -0.5627 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946    0.6774   -0.1503 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9309   -0.2648   -0.2978 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2951   -0.7654    1.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4468    0.0118   -0.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4315    0.4328   -1.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0179    1.6810   -0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5477   -0.9601   -1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0802   -0.7957    0.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  1  6  1  0
  3  7  1  0
  3  8  1  0
  4  9  1  0
  5 10  1  0
  5 11  1  0
M  END
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PDB for HMDB0248318 (Aminoguanidine)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  N   UNK     0       1.540   2.667   0.000  0.00  0.00           N+0
HETATM    2  N   UNK     0       2.310   1.334   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       2.310  -1.334   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
MASTER        0    0    0    0    0    0    0    0    5    0    8    0
END
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3D PDB for HMDB0248318 (Aminoguanidine)

COMPND    HMDB0248318
HETATM    1  N1  UNL     1      -0.413  -0.376   1.430  1.00  0.00           N  
HETATM    2  C1  UNL     1      -0.368   0.155   0.256  1.00  0.00           C  
HETATM    3  N2  UNL     1      -1.518   0.204  -0.563  1.00  0.00           N  
HETATM    4  N3  UNL     1       0.895   0.677  -0.150  1.00  0.00           N  
HETATM    5  N4  UNL     1       1.931  -0.265  -0.298  1.00  0.00           N  
HETATM    6  H1  UNL     1      -1.295  -0.765   1.768  1.00  0.00           H  
HETATM    7  H2  UNL     1      -2.447   0.012  -0.166  1.00  0.00           H  
HETATM    8  H3  UNL     1      -1.431   0.433  -1.561  1.00  0.00           H  
HETATM    9  H4  UNL     1       1.018   1.681  -0.319  1.00  0.00           H  
HETATM   10  H5  UNL     1       1.548  -0.960  -1.002  1.00  0.00           H  
HETATM   11  H6  UNL     1       2.080  -0.796   0.605  1.00  0.00           H  
CONECT    1    2    2    6
CONECT    2    3    4
CONECT    3    7    8
CONECT    4    5    9
CONECT    5   10   11
END
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SMILES for HMDB0248318 (Aminoguanidine)

NNC(N)=N
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INCHI for HMDB0248318 (Aminoguanidine)

InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-AminoguanidineChEBI
2-AzanylguanidineChEBI
AGChEBI
Guanyl hydrazineChEBI
HydrazinecarboximidamideChEBI
Imino semicarbazideChEBI
MonoaminoguanidineChEBI
PimagedineChEBI
Pimagedine hydrochlorideHMDB
Aminoguanidine sulfateHMDB
Chemical FormulaCH6N4
Average Molecular Weight74.0851
Monoisotopic Molecular Weight74.059246212
IUPAC Name1-aminoguanidine
Traditional Nameaminoguanidine
CAS Registry NumberNot Available
SMILES
NNC(N)=N
InChI Identifier
InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
InChI KeyHAMNKKUPIHEESI-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as guanidines. Guanidines are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassGuanidines
Direct ParentGuanidines
Alternative Parents
Substituents
  • Guanidine
  • Hydrazone
  • Organopnictogen compound
  • Hydrocarbon derivative
  • 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-1.5ChemAxon
logS-0.95ALOGPS
pKa (Strongest Basic)12.01ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area87.92 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity40.84 m³·mol⁻¹ChemAxon
Polarizability6.88 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]+118.05530932474
DeepCCS[M-H]-116.16330932474
DeepCCS[M-2H]-151.42330932474
DeepCCS[M+Na]+125.37830932474
AllCCS[M+H]+125.632859911
AllCCS[M+H-H2O]+121.332859911
AllCCS[M+NH4]+129.732859911
AllCCS[M+Na]+130.932859911
AllCCS[M-H]-126.532859911
AllCCS[M+Na-2H]-132.332859911
AllCCS[M+HCOO]-138.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
AminoguanidineNNC(N)=N2195.9Standard polar33892256
AminoguanidineNNC(N)=N1010.6Standard non polar33892256
AminoguanidineNNC(N)=N1651.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Aminoguanidine,1TMS,isomer #1C[Si](C)(C)NNC(=N)N1518.2Semi standard non polar33892256
Aminoguanidine,1TMS,isomer #1C[Si](C)(C)NNC(=N)N1128.6Standard non polar33892256
Aminoguanidine,1TMS,isomer #1C[Si](C)(C)NNC(=N)N2529.6Standard polar33892256
Aminoguanidine,1TMS,isomer #2C[Si](C)(C)NC(=N)NN1565.5Semi standard non polar33892256
Aminoguanidine,1TMS,isomer #2C[Si](C)(C)NC(=N)NN1137.7Standard non polar33892256
Aminoguanidine,1TMS,isomer #2C[Si](C)(C)NC(=N)NN2777.7Standard polar33892256
Aminoguanidine,1TMS,isomer #3C[Si](C)(C)N(N)C(=N)N1465.3Semi standard non polar33892256
Aminoguanidine,1TMS,isomer #3C[Si](C)(C)N(N)C(=N)N1155.1Standard non polar33892256
Aminoguanidine,1TMS,isomer #3C[Si](C)(C)N(N)C(=N)N2607.1Standard polar33892256
Aminoguanidine,1TMS,isomer #4C[Si](C)(C)N=C(N)NN1438.2Semi standard non polar33892256
Aminoguanidine,1TMS,isomer #4C[Si](C)(C)N=C(N)NN1194.6Standard non polar33892256
Aminoguanidine,1TMS,isomer #4C[Si](C)(C)N=C(N)NN2430.7Standard polar33892256
Aminoguanidine,2TMS,isomer #1C[Si](C)(C)NNC(=N)N[Si](C)(C)C1620.1Semi standard non polar33892256
Aminoguanidine,2TMS,isomer #1C[Si](C)(C)NNC(=N)N[Si](C)(C)C1255.1Standard non polar33892256
Aminoguanidine,2TMS,isomer #1C[Si](C)(C)NNC(=N)N[Si](C)(C)C2426.1Standard polar33892256
Aminoguanidine,2TMS,isomer #2C[Si](C)(C)N(NC(=N)N)[Si](C)(C)C1524.3Semi standard non polar33892256
Aminoguanidine,2TMS,isomer #2C[Si](C)(C)N(NC(=N)N)[Si](C)(C)C1275.2Standard non polar33892256
Aminoguanidine,2TMS,isomer #2C[Si](C)(C)N(NC(=N)N)[Si](C)(C)C2542.3Standard polar33892256
Aminoguanidine,2TMS,isomer #3C[Si](C)(C)NN(C(=N)N)[Si](C)(C)C1495.8Semi standard non polar33892256
Aminoguanidine,2TMS,isomer #3C[Si](C)(C)NN(C(=N)N)[Si](C)(C)C1291.0Standard non polar33892256
Aminoguanidine,2TMS,isomer #3C[Si](C)(C)NN(C(=N)N)[Si](C)(C)C2325.4Standard polar33892256
Aminoguanidine,2TMS,isomer #4C[Si](C)(C)N=C(N)NN[Si](C)(C)C1546.8Semi standard non polar33892256
Aminoguanidine,2TMS,isomer #4C[Si](C)(C)N=C(N)NN[Si](C)(C)C1214.2Standard non polar33892256
Aminoguanidine,2TMS,isomer #4C[Si](C)(C)N=C(N)NN[Si](C)(C)C2293.6Standard polar33892256
Aminoguanidine,2TMS,isomer #5C[Si](C)(C)N(C(=N)NN)[Si](C)(C)C1613.5Semi standard non polar33892256
Aminoguanidine,2TMS,isomer #5C[Si](C)(C)N(C(=N)NN)[Si](C)(C)C1301.5Standard non polar33892256
Aminoguanidine,2TMS,isomer #5C[Si](C)(C)N(C(=N)NN)[Si](C)(C)C2641.5Standard polar33892256
Aminoguanidine,2TMS,isomer #6C[Si](C)(C)N=C(NN)N[Si](C)(C)C1530.9Semi standard non polar33892256
Aminoguanidine,2TMS,isomer #6C[Si](C)(C)N=C(NN)N[Si](C)(C)C1261.1Standard non polar33892256
Aminoguanidine,2TMS,isomer #6C[Si](C)(C)N=C(NN)N[Si](C)(C)C2622.1Standard polar33892256
Aminoguanidine,2TMS,isomer #7C[Si](C)(C)NC(=N)N(N)[Si](C)(C)C1498.5Semi standard non polar33892256
Aminoguanidine,2TMS,isomer #7C[Si](C)(C)NC(=N)N(N)[Si](C)(C)C1261.8Standard non polar33892256
Aminoguanidine,2TMS,isomer #7C[Si](C)(C)NC(=N)N(N)[Si](C)(C)C2602.5Standard polar33892256
Aminoguanidine,2TMS,isomer #8C[Si](C)(C)N=C(N)N(N)[Si](C)(C)C1457.4Semi standard non polar33892256
Aminoguanidine,2TMS,isomer #8C[Si](C)(C)N=C(N)N(N)[Si](C)(C)C1314.0Standard non polar33892256
Aminoguanidine,2TMS,isomer #8C[Si](C)(C)N=C(N)N(N)[Si](C)(C)C2504.0Standard polar33892256
Aminoguanidine,3TMS,isomer #1C[Si](C)(C)NC(=N)NN([Si](C)(C)C)[Si](C)(C)C1701.4Semi standard non polar33892256
Aminoguanidine,3TMS,isomer #1C[Si](C)(C)NC(=N)NN([Si](C)(C)C)[Si](C)(C)C1391.3Standard non polar33892256
Aminoguanidine,3TMS,isomer #1C[Si](C)(C)NC(=N)NN([Si](C)(C)C)[Si](C)(C)C2183.8Standard polar33892256
Aminoguanidine,3TMS,isomer #10C[Si](C)(C)N=C(N[Si](C)(C)C)N(N)[Si](C)(C)C1499.1Semi standard non polar33892256
Aminoguanidine,3TMS,isomer #10C[Si](C)(C)N=C(N[Si](C)(C)C)N(N)[Si](C)(C)C1288.6Standard non polar33892256
Aminoguanidine,3TMS,isomer #10C[Si](C)(C)N=C(N[Si](C)(C)C)N(N)[Si](C)(C)C2553.3Standard polar33892256
Aminoguanidine,3TMS,isomer #2C[Si](C)(C)NC(=N)N(N[Si](C)(C)C)[Si](C)(C)C1522.7Semi standard non polar33892256
Aminoguanidine,3TMS,isomer #2C[Si](C)(C)NC(=N)N(N[Si](C)(C)C)[Si](C)(C)C1353.1Standard non polar33892256
Aminoguanidine,3TMS,isomer #2C[Si](C)(C)NC(=N)N(N[Si](C)(C)C)[Si](C)(C)C2163.0Standard polar33892256
Aminoguanidine,3TMS,isomer #3C[Si](C)(C)N=C(NN[Si](C)(C)C)N[Si](C)(C)C1573.0Semi standard non polar33892256
Aminoguanidine,3TMS,isomer #3C[Si](C)(C)N=C(NN[Si](C)(C)C)N[Si](C)(C)C1256.6Standard non polar33892256
Aminoguanidine,3TMS,isomer #3C[Si](C)(C)N=C(NN[Si](C)(C)C)N[Si](C)(C)C2298.7Standard polar33892256
Aminoguanidine,3TMS,isomer #4C[Si](C)(C)NNC(=N)N([Si](C)(C)C)[Si](C)(C)C1707.5Semi standard non polar33892256
Aminoguanidine,3TMS,isomer #4C[Si](C)(C)NNC(=N)N([Si](C)(C)C)[Si](C)(C)C1364.5Standard non polar33892256
Aminoguanidine,3TMS,isomer #4C[Si](C)(C)NNC(=N)N([Si](C)(C)C)[Si](C)(C)C2129.5Standard polar33892256
Aminoguanidine,3TMS,isomer #5C[Si](C)(C)N(C(=N)N)N([Si](C)(C)C)[Si](C)(C)C1530.9Semi standard non polar33892256
Aminoguanidine,3TMS,isomer #5C[Si](C)(C)N(C(=N)N)N([Si](C)(C)C)[Si](C)(C)C1378.8Standard non polar33892256
Aminoguanidine,3TMS,isomer #5C[Si](C)(C)N(C(=N)N)N([Si](C)(C)C)[Si](C)(C)C2250.6Standard polar33892256
Aminoguanidine,3TMS,isomer #6C[Si](C)(C)N=C(N)NN([Si](C)(C)C)[Si](C)(C)C1516.3Semi standard non polar33892256
Aminoguanidine,3TMS,isomer #6C[Si](C)(C)N=C(N)NN([Si](C)(C)C)[Si](C)(C)C1355.6Standard non polar33892256
Aminoguanidine,3TMS,isomer #6C[Si](C)(C)N=C(N)NN([Si](C)(C)C)[Si](C)(C)C2253.0Standard polar33892256
Aminoguanidine,3TMS,isomer #7C[Si](C)(C)N=C(N)N(N[Si](C)(C)C)[Si](C)(C)C1516.7Semi standard non polar33892256
Aminoguanidine,3TMS,isomer #7C[Si](C)(C)N=C(N)N(N[Si](C)(C)C)[Si](C)(C)C1303.9Standard non polar33892256
Aminoguanidine,3TMS,isomer #7C[Si](C)(C)N=C(N)N(N[Si](C)(C)C)[Si](C)(C)C2213.1Standard polar33892256
Aminoguanidine,3TMS,isomer #8C[Si](C)(C)N=C(NN)N([Si](C)(C)C)[Si](C)(C)C1516.8Semi standard non polar33892256
Aminoguanidine,3TMS,isomer #8C[Si](C)(C)N=C(NN)N([Si](C)(C)C)[Si](C)(C)C1414.7Standard non polar33892256
Aminoguanidine,3TMS,isomer #8C[Si](C)(C)N=C(NN)N([Si](C)(C)C)[Si](C)(C)C2366.4Standard polar33892256
Aminoguanidine,3TMS,isomer #9C[Si](C)(C)N(N)C(=N)N([Si](C)(C)C)[Si](C)(C)C1497.5Semi standard non polar33892256
Aminoguanidine,3TMS,isomer #9C[Si](C)(C)N(N)C(=N)N([Si](C)(C)C)[Si](C)(C)C1392.2Standard non polar33892256
Aminoguanidine,3TMS,isomer #9C[Si](C)(C)N(N)C(=N)N([Si](C)(C)C)[Si](C)(C)C2542.2Standard polar33892256
Aminoguanidine,4TMS,isomer #1C[Si](C)(C)N(NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1703.5Semi standard non polar33892256
Aminoguanidine,4TMS,isomer #1C[Si](C)(C)N(NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1585.8Standard non polar33892256
Aminoguanidine,4TMS,isomer #1C[Si](C)(C)N(NC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1969.7Standard polar33892256
Aminoguanidine,4TMS,isomer #2C[Si](C)(C)N=C(NN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C1587.2Semi standard non polar33892256
Aminoguanidine,4TMS,isomer #2C[Si](C)(C)N=C(NN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C1390.5Standard non polar33892256
Aminoguanidine,4TMS,isomer #2C[Si](C)(C)N=C(NN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2117.9Standard polar33892256
Aminoguanidine,4TMS,isomer #3C[Si](C)(C)NC(=N)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1560.6Semi standard non polar33892256
Aminoguanidine,4TMS,isomer #3C[Si](C)(C)NC(=N)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1513.4Standard non polar33892256
Aminoguanidine,4TMS,isomer #3C[Si](C)(C)NC(=N)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2000.2Standard polar33892256
Aminoguanidine,4TMS,isomer #4C[Si](C)(C)NN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1548.2Semi standard non polar33892256
Aminoguanidine,4TMS,isomer #4C[Si](C)(C)NN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1505.0Standard non polar33892256
Aminoguanidine,4TMS,isomer #4C[Si](C)(C)NN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1959.9Standard polar33892256
Aminoguanidine,4TMS,isomer #5C[Si](C)(C)N=C(N[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C1505.0Semi standard non polar33892256
Aminoguanidine,4TMS,isomer #5C[Si](C)(C)N=C(N[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C1355.6Standard non polar33892256
Aminoguanidine,4TMS,isomer #5C[Si](C)(C)N=C(N[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C2025.2Standard polar33892256
Aminoguanidine,4TMS,isomer #6C[Si](C)(C)N=C(NN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1575.1Semi standard non polar33892256
Aminoguanidine,4TMS,isomer #6C[Si](C)(C)N=C(NN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1395.5Standard non polar33892256
Aminoguanidine,4TMS,isomer #6C[Si](C)(C)N=C(NN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2038.2Standard polar33892256
Aminoguanidine,4TMS,isomer #7C[Si](C)(C)N=C(N)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1536.7Semi standard non polar33892256
Aminoguanidine,4TMS,isomer #7C[Si](C)(C)N=C(N)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1437.5Standard non polar33892256
Aminoguanidine,4TMS,isomer #7C[Si](C)(C)N=C(N)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2181.0Standard polar33892256
Aminoguanidine,4TMS,isomer #8C[Si](C)(C)N=C(N(N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1511.9Semi standard non polar33892256
Aminoguanidine,4TMS,isomer #8C[Si](C)(C)N=C(N(N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1537.0Standard non polar33892256
Aminoguanidine,4TMS,isomer #8C[Si](C)(C)N=C(N(N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2403.6Standard polar33892256
Aminoguanidine,5TMS,isomer #1C[Si](C)(C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1668.2Semi standard non polar33892256
Aminoguanidine,5TMS,isomer #1C[Si](C)(C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1687.5Standard non polar33892256
Aminoguanidine,5TMS,isomer #1C[Si](C)(C)N(C(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1853.6Standard polar33892256
Aminoguanidine,5TMS,isomer #2C[Si](C)(C)N=C(NN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1705.2Semi standard non polar33892256
Aminoguanidine,5TMS,isomer #2C[Si](C)(C)N=C(NN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1587.0Standard non polar33892256
Aminoguanidine,5TMS,isomer #2C[Si](C)(C)N=C(NN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1908.5Standard polar33892256
Aminoguanidine,5TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1606.1Semi standard non polar33892256
Aminoguanidine,5TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1536.8Standard non polar33892256
Aminoguanidine,5TMS,isomer #3C[Si](C)(C)N=C(N[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1855.2Standard polar33892256
Aminoguanidine,5TMS,isomer #4C[Si](C)(C)N=C(N(N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1581.5Semi standard non polar33892256
Aminoguanidine,5TMS,isomer #4C[Si](C)(C)N=C(N(N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1552.8Standard non polar33892256
Aminoguanidine,5TMS,isomer #4C[Si](C)(C)N=C(N(N[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1744.4Standard polar33892256
Aminoguanidine,6TMS,isomer #1C[Si](C)(C)N=C(N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1768.8Semi standard non polar33892256
Aminoguanidine,6TMS,isomer #1C[Si](C)(C)N=C(N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1741.9Standard non polar33892256
Aminoguanidine,6TMS,isomer #1C[Si](C)(C)N=C(N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1623.8Standard polar33892256
Aminoguanidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NNC(=N)N1734.1Semi standard non polar33892256
Aminoguanidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NNC(=N)N1246.8Standard non polar33892256
Aminoguanidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NNC(=N)N2810.9Standard polar33892256
Aminoguanidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=N)NN1756.4Semi standard non polar33892256
Aminoguanidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=N)NN1228.2Standard non polar33892256
Aminoguanidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=N)NN2949.6Standard polar33892256
Aminoguanidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(N)C(=N)N1619.3Semi standard non polar33892256
Aminoguanidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(N)C(=N)N1274.0Standard non polar33892256
Aminoguanidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(N)C(=N)N2846.7Standard polar33892256
Aminoguanidine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)NN1645.2Semi standard non polar33892256
Aminoguanidine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)NN1372.8Standard non polar33892256
Aminoguanidine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)NN2668.9Standard polar33892256
Aminoguanidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NNC(=N)N[Si](C)(C)C(C)(C)C2095.5Semi standard non polar33892256
Aminoguanidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NNC(=N)N[Si](C)(C)C(C)(C)C1579.6Standard non polar33892256
Aminoguanidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NNC(=N)N[Si](C)(C)C(C)(C)C2443.3Standard polar33892256
Aminoguanidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(NC(=N)N)[Si](C)(C)C(C)(C)C1905.1Semi standard non polar33892256
Aminoguanidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(NC(=N)N)[Si](C)(C)C(C)(C)C1603.3Standard non polar33892256
Aminoguanidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(NC(=N)N)[Si](C)(C)C(C)(C)C2579.9Standard polar33892256
Aminoguanidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NN(C(=N)N)[Si](C)(C)C(C)(C)C1912.7Semi standard non polar33892256
Aminoguanidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NN(C(=N)N)[Si](C)(C)C(C)(C)C1609.8Standard non polar33892256
Aminoguanidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NN(C(=N)N)[Si](C)(C)C(C)(C)C2471.8Standard polar33892256
Aminoguanidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)NN[Si](C)(C)C(C)(C)C1927.8Semi standard non polar33892256
Aminoguanidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)NN[Si](C)(C)C(C)(C)C1543.7Standard non polar33892256
Aminoguanidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N)NN[Si](C)(C)C(C)(C)C2501.4Standard polar33892256
Aminoguanidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=N)NN)[Si](C)(C)C(C)(C)C1938.0Semi standard non polar33892256
Aminoguanidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=N)NN)[Si](C)(C)C(C)(C)C1612.6Standard non polar33892256
Aminoguanidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=N)NN)[Si](C)(C)C(C)(C)C2586.9Standard polar33892256
Aminoguanidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NN)N[Si](C)(C)C(C)(C)C1965.2Semi standard non polar33892256
Aminoguanidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NN)N[Si](C)(C)C(C)(C)C1511.9Standard non polar33892256
Aminoguanidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NN)N[Si](C)(C)C(C)(C)C2687.1Standard polar33892256
Aminoguanidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=N)N(N)[Si](C)(C)C(C)(C)C1933.7Semi standard non polar33892256
Aminoguanidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=N)N(N)[Si](C)(C)C(C)(C)C1608.6Standard non polar33892256
Aminoguanidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=N)N(N)[Si](C)(C)C(C)(C)C2717.2Standard polar33892256
Aminoguanidine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N)N(N)[Si](C)(C)C(C)(C)C1820.2Semi standard non polar33892256
Aminoguanidine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N)N(N)[Si](C)(C)C(C)(C)C1636.7Standard non polar33892256
Aminoguanidine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N)N(N)[Si](C)(C)C(C)(C)C2744.5Standard polar33892256
Aminoguanidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2229.2Semi standard non polar33892256
Aminoguanidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1959.2Standard non polar33892256
Aminoguanidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=N)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2334.1Standard polar33892256
Aminoguanidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C2053.6Semi standard non polar33892256
Aminoguanidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C1872.0Standard non polar33892256
Aminoguanidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C2725.9Standard polar33892256
Aminoguanidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=N)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2187.1Semi standard non polar33892256
Aminoguanidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=N)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1953.3Standard non polar33892256
Aminoguanidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=N)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2345.4Standard polar33892256
Aminoguanidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NN[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2193.4Semi standard non polar33892256
Aminoguanidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NN[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C1827.5Standard non polar33892256
Aminoguanidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(NN[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2359.9Standard polar33892256
Aminoguanidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2227.2Semi standard non polar33892256
Aminoguanidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1979.1Standard non polar33892256
Aminoguanidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2319.7Standard polar33892256
Aminoguanidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2130.0Semi standard non polar33892256
Aminoguanidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1986.9Standard non polar33892256
Aminoguanidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2422.4Standard polar33892256
Aminoguanidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2086.7Semi standard non polar33892256
Aminoguanidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1912.6Standard non polar33892256
Aminoguanidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(N)NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2496.6Standard polar33892256
Aminoguanidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2057.3Semi standard non polar33892256
Aminoguanidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1879.7Standard non polar33892256
Aminoguanidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2508.5Standard polar33892256
Aminoguanidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(NN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2077.4Semi standard non polar33892256
Aminoguanidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(NN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1925.0Standard non polar33892256
Aminoguanidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(NN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2504.9Standard polar33892256
Aminoguanidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(N)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2103.8Semi standard non polar33892256
Aminoguanidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(N)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2002.5Standard non polar33892256
Aminoguanidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(N)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2659.1Standard polar33892256
Aminoguanidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2432.5Semi standard non polar33892256
Aminoguanidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2333.2Standard non polar33892256
Aminoguanidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(NC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2305.2Standard polar33892256
Aminoguanidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2349.7Semi standard non polar33892256
Aminoguanidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2152.9Standard non polar33892256
Aminoguanidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2341.0Standard polar33892256
Aminoguanidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2400.3Semi standard non polar33892256
Aminoguanidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2259.5Standard non polar33892256
Aminoguanidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2295.9Standard polar33892256
Aminoguanidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2391.8Semi standard non polar33892256
Aminoguanidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2284.8Standard non polar33892256
Aminoguanidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2303.8Standard polar33892256
Aminoguanidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2304.1Semi standard non polar33892256
Aminoguanidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2113.9Standard non polar33892256
Aminoguanidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2281.1Standard polar33892256
Aminoguanidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NN[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2338.6Semi standard non polar33892256
Aminoguanidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NN[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2176.8Standard non polar33892256
Aminoguanidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N=C(NN[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2287.1Standard polar33892256
Aminoguanidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2310.1Semi standard non polar33892256
Aminoguanidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2212.6Standard non polar33892256
Aminoguanidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N=C(N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2507.4Standard polar33892256
Aminoguanidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N(N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2305.9Semi standard non polar33892256
Aminoguanidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N(N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2273.2Standard non polar33892256
Aminoguanidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N=C(N(N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2632.7Standard polar33892256
Aminoguanidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2622.4Semi standard non polar33892256
Aminoguanidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2575.3Standard non polar33892256
Aminoguanidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2275.6Standard polar33892256
Aminoguanidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2592.3Semi standard non polar33892256
Aminoguanidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2497.8Standard non polar33892256
Aminoguanidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2316.2Standard polar33892256
Aminoguanidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2556.2Semi standard non polar33892256
Aminoguanidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2438.7Standard non polar33892256
Aminoguanidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2288.5Standard polar33892256
Aminoguanidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2554.9Semi standard non polar33892256
Aminoguanidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2471.0Standard non polar33892256
Aminoguanidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N=C(N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2229.0Standard polar33892256
Aminoguanidine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2837.5Semi standard non polar33892256
Aminoguanidine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2790.5Standard non polar33892256
Aminoguanidine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2237.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Aminoguanidine GC-MS (Non-derivatized) - 70eV, Positivesplash10-006x-9000000000-c5934410e979189206db2017-08-28Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aminoguanidine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminoguanidine 10V, Positive-QTOFsplash10-004i-9000000000-004f4eae8ed143df137a2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminoguanidine 20V, Positive-QTOFsplash10-004i-9000000000-ad19cbad5a4d0bbdc5de2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminoguanidine 40V, Positive-QTOFsplash10-0a6r-9000000000-485ebbd3a739e42e94a52017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminoguanidine 10V, Negative-QTOFsplash10-00di-9000000000-aeed222da6f9fdaf1d622017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminoguanidine 20V, Negative-QTOFsplash10-00di-9000000000-c8b80f87b9dda92c28b42017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminoguanidine 40V, Negative-QTOFsplash10-0006-9000000000-bacac44c7c20ab98a0572017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminoguanidine 10V, Positive-QTOFsplash10-056r-9000000000-ed0ee1ff92f453ea0c2e2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminoguanidine 20V, Positive-QTOFsplash10-0a4l-9000000000-906f94e66bc7b0df9d4d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminoguanidine 40V, Positive-QTOFsplash10-0006-9000000000-482298504903ada953b72021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminoguanidine 10V, Negative-QTOFsplash10-0006-9000000000-1c8520c5f7efb1187e432021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminoguanidine 20V, Negative-QTOFsplash10-0006-9000000000-1c8520c5f7efb1187e432021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminoguanidine 40V, Negative-QTOFsplash10-0006-9000000000-1c8520c5f7efb1187e432021-10-12Wishart 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 IDDB05383
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID2061
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPimagedine
METLIN IDNot Available
PubChem Compound2146
PDB IDNot Available
ChEBI ID40618
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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 ]