Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EG4E65H9P2
EPA CompTox DTXSID2066987

Structure

InChI Key VXAOLDZFARINGE-UHFFFAOYSA-N
Smiles CCNCC#N
InChI
InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8N2
Molecular Weight 84.07
AlogP 0.12
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 35.82
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 24426-40-2
NORMAN SUSDAT
FDA SRS EG4E65H9P2
PubChem 90498
ChemSpider 81706.0