Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8T74D2Q5VH
EPA CompTox DTXSID20206284

Structure

InChI Key MUMVIYLVHVCYGI-UHFFFAOYSA-N
Smiles C[NH+](C)C([NH+](C)C)[NH+](C)C
InChI
InChI=1S/C7H19N3/c1-8(2)7(9(3)4)10(5)6/h7H,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H19N3
Molecular Weight 145.16
AlogP -0.05
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 9.72
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 5762-56-1
NORMAN SUSDAT
FDA SRS 8T74D2Q5VH
PubChem 79831
ChemSpider 72124.0