Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70276477

Structure

InChI Key USGYNNGHZHARJS-UHFFFAOYSA-N
Smiles CCCCCCCCCCNCC=C
InChI
InChI=1S/C13H27N/c1-3-5-6-7-8-9-10-11-13-14-12-4-2/h4,14H,2-3,5-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H27N1
Molecular Weight 197.21
AlogP 3.9
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 12.03
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 92162-19-1
NORMAN SUSDAT
PubChem 160053
ChemSpider 140703.0