Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 978M4OL12Q
EPA CompTox DTXSID10184087

Structure

InChI Key SGUVLZREKBPKCE-UHFFFAOYSA-N
Smiles C1CN2CCCN=C2C1
InChI
InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H12N2
Molecular Weight 124.1
AlogP 0.88
Hydrogen Bond Acceptor 2.0
Polar Surface Area 15.6
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 3001-72-7
NORMAN SUSDAT
FDA SRS 978M4OL12Q
PubChem 76349
ChemSpider 68826.0