Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U81KWZ2JKN
EPA CompTox DTXSID00214524

Structure

InChI Key ADRDEXBBJTUCND-UHFFFAOYSA-N
Smiles C1CC2CCCN2C1
InChI
InChI=1S/C7H13N/c1-3-7-4-2-6-8(7)5-1/h7H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13N1
Molecular Weight 111.1
AlogP 1.24
Hydrogen Bond Acceptor 1.0
Polar Surface Area 3.24
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 643-20-9
NORMAN SUSDAT
FDA SRS U81KWZ2JKN
PubChem 12558
ChemSpider 12039.0