Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WU34F15N7C
EPA CompTox DTXSID0073241

Structure

InChI Key PLXBWEPPAAQASG-UHFFFAOYSA-N
Smiles CN(C)CC#N
InChI
InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8N2
Molecular Weight 84.07
AlogP 0.07
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 27.03
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 926-64-7
NORMAN SUSDAT
FDA SRS WU34F15N7C
PubChem 61237
ChemSpider 79410.0