Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3739OQ10IJ
EPA CompTox DTXSID90202314

Structure

InChI Key DFNYGALUNNFWKJ-UHFFFAOYSA-N
Smiles NCC#N
InChI
InChI=1S/C2H4N2/c3-1-2-4/h1,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4N2
Molecular Weight 56.04
AlogP -0.53
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 49.81
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 540-61-4
NORMAN SUSDAT
FDA SRS 3739OQ10IJ
PubChem 10901
ChemSpider 10439.0