Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60931326

Structure

InChI Key CTKXXMXGFDQHTI-UHFFFAOYSA-N
Smiles O=C(OCC)C=C(N(C)C)C
InChI
InChI=1/C8H15NO2/c1-5-11-8(10)6-7(2)9(3)4/h6H,5H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15NO2
Molecular Weight 157.11
AlogP 1.01
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 29.54
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 14205-42-6
NORMAN SUSDAT
PubChem 84255