Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2Y6BJW3KUD
EPA CompTox DTXSID8060664

Structure

InChI Key GNVRJGIVDSQCOP-UHFFFAOYSA-N
Smiles CC[NH+](C)CC
InChI
InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13N1
Molecular Weight 87.1
AlogP 0.96
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 616-39-7
NORMAN SUSDAT
FDA SRS 2Y6BJW3KUD
PubChem 12022
ChemSpider 11524.0