Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60907021

Structure

InChI Key DDLJXUCYCFDNCA-UHFFFAOYSA-N
Smiles O=C(OC)C(C)CN(C)C
InChI
InChI=1/C7H15NO2/c1-6(5-8(2)3)7(9)10-4/h6H,5H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15NO2
Molecular Weight 145.11
AlogP 0.36
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 29.54
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 10205-34-2
NORMAN SUSDAT
PubChem 112023