Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JXA5N62PYD
EPA CompTox DTXSID8073219

Structure

InChI Key IOXXVNYDGIXMIP-UHFFFAOYSA-N
Smiles CNCC=C
InChI
InChI=1S/C4H9N/c1-3-4-5-2/h3,5H,1,4H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N1
Molecular Weight 71.07
AlogP 0.39
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 12.03
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 627-37-2
NORMAN SUSDAT
FDA SRS JXA5N62PYD
PubChem 69391
ChemSpider 19037.0