Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 95CL167W8T
EPA CompTox DTXSID1060130

Structure

InChI Key FQUYSHZXSKYCSY-UHFFFAOYSA-N
Smiles C1CNCCNC1
InChI
InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12N2
Molecular Weight 100.1
AlogP -0.43
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 24.06
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 505-66-8
NORMAN SUSDAT
FDA SRS 95CL167W8T
PubChem 68163
ChemSpider 61471.0