Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90966181

Structure

InChI Key PVKLAMRUYSTLJU-UHFFFAOYSA-N
Smiles O=C(OC)CC1N(C)CCC1
InChI
InChI=1/C8H15NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h7H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15NO2
Molecular Weight 157.11
AlogP 0.64
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 29.54
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 51856-76-9
NORMAN SUSDAT
PubChem 103551