Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J3OL90426G
EPA CompTox DTXSID80871098

Structure

InChI Key GPASKFIFXOCRNP-UHFFFAOYSA-N
Smiles CN=C(C)C
InChI
InChI=1S/C4H9N/c1-4(2)5-3/h1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N1
Molecular Weight 71.07
AlogP 1.1
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.36
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 4747-21-1
NORMAN SUSDAT
FDA SRS J3OL90426G