Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B3C6KTC8LE
EPA CompTox DTXSID70195957

Structure

InChI Key QMHNQZGXPNCMCO-UHFFFAOYSA-N
Smiles CCCCCC[NH+](C)C
InChI
InChI=1S/C8H19N/c1-4-5-6-7-8-9(2)3/h4-8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H19N1
Molecular Weight 129.15
AlogP 2.13
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 3.24
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 4385-04-0
NORMAN SUSDAT
FDA SRS B3C6KTC8LE
PubChem 78090
ChemSpider 70468.0