Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 73T7669M5M
EPA CompTox DTXSID70168303

Structure

InChI Key QXOYPGTWWXJFDI-UHFFFAOYSA-N
Smiles N#CCCCCCCCC#N
InChI
InChI=1S/C9H14N2/c10-8-6-4-2-1-3-5-7-9-11/h1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14N2
Molecular Weight 150.12
AlogP 2.76
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 47.58
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1675-69-0
NORMAN SUSDAT
FDA SRS 73T7669M5M
PubChem 74295
ChemSpider 66898.0