Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9GXD8EZV6L
EPA CompTox DTXSID0064599

Structure

InChI Key ILBIXZPOMJFOJP-UHFFFAOYSA-N
Smiles CN(C)CC#C
InChI
InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N1
Molecular Weight 83.07
AlogP 0.18
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 7223-38-3
NORMAN SUSDAT
FDA SRS 9GXD8EZV6L
PubChem 81643
ChemSpider 73668.0