Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UA9JFS6L93
EPA CompTox DTXSID9064390

Structure

InChI Key LHQRDAIAWDPZGH-UHFFFAOYSA-N
Smiles NNC1CCCCC1
InChI
InChI=1S/C6H14N2/c7-8-6-4-2-1-3-5-6/h6,8H,1-5,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14N2
Molecular Weight 114.12
AlogP 0.78
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 38.05
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 6498-34-6
NORMAN SUSDAT
FDA SRS UA9JFS6L93
PubChem 80993
ChemSpider 73074.0