Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID90926760

Structure

InChI Key YDBMNSABUROTEK-UHFFFAOYSA-N
Smiles Cl.O=C(OCCC)CN
InChI
InChI=1/C5H11NO2.ClH/c1-2-3-8-5(7)4-6;/h2-4,6H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11NO2
Molecular Weight 153.06
AlogP 0.32
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 52.32
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 13049-01-9
NORMAN SUSDAT
PubChem 2759255