Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 076KT5HU06
EPA CompTox DTXSID1064580

Structure

InChI Key WRXNJTBODVGDRY-UHFFFAOYSA-N
Smiles NCCN1CCCC1
InChI
InChI=1S/C6H14N2/c7-3-6-8-4-1-2-5-8/h1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14N2
Molecular Weight 114.12
AlogP 0.04
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.26
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 7154-73-6
NORMAN SUSDAT
FDA SRS 076KT5HU06
PubChem 1344
ChemSpider 1304.0