Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TCA336D1SX
EPA CompTox DTXSID30903792

Structure

InChI Key FGRJGEWVJCCOJJ-UHFFFAOYSA-N
Smiles N1CC1(C)C
InChI
InChI=1/C4H9N/c1-4(2)3-5-4/h5H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N
Molecular Weight 71.07
AlogP 0.37
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 21.94
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 2658-24-4
NORMAN SUSDAT
FDA SRS TCA336D1SX
PubChem 227244