Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60952955

Structure

InChI Key ZICBNHLULHJETL-UHFFFAOYSA-N
Smiles O=C(OCC)C1N(C)CCCC1
InChI
InChI=1/C9H17NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h8H,3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H17NO2
Molecular Weight 171.13
AlogP 1.03
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 29.54
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 30727-18-5
NORMAN SUSDAT
PubChem 566742