Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7KEQ6AXV7A
EPA CompTox DTXSID00196513

Structure

InChI Key AVQYXBDAZWIFTO-UHFFFAOYSA-N
Smiles N#CCCCCCCCCCCC#N
InChI
InChI=1S/C12H20N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20N2
Molecular Weight 192.16
AlogP 3.93
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 47.58
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 4543-66-2
NORMAN SUSDAT
FDA SRS 7KEQ6AXV7A
PubChem 78301
ChemSpider 70673.0