Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F4M3LG4PSU
EPA CompTox DTXSID3063382

Structure

InChI Key ZFDWWDZLRKHULH-UHFFFAOYSA-N
Smiles CN1CCCN=C1C
InChI
InChI=1S/C6H12N2/c1-6-7-4-3-5-8(6)2/h3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12N2
Molecular Weight 112.1
AlogP 0.74
Hydrogen Bond Acceptor 2.0
Polar Surface Area 15.6
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 4271-96-9
NORMAN SUSDAT
FDA SRS F4M3LG4PSU
PubChem 77953
ChemSpider 70343.0