Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5584MPJ7F2
EPA CompTox DTXSID30167574

Structure

InChI Key CEAIOKFZXJMDAS-UHFFFAOYSA-N
Smiles CN1CCN(CC1)N=O
InChI
InChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N3O1
Molecular Weight 129.09
AlogP -0.08
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 35.91
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 16339-07-4
NORMAN SUSDAT
FDA SRS 5584MPJ7F2
PubChem 27826
ChemSpider 25891.0