Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PUN2A487KL
EPA CompTox DTXSID30236173

Structure

InChI Key CTSZPNIMMLSKDV-UHFFFAOYSA-N
Smiles N1=C(C)CCC1
InChI
InChI=1/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N
Molecular Weight 83.07
AlogP 1.24
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.36
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 872-32-2
NORMAN SUSDAT
FDA SRS PUN2A487KL
PubChem 70103