Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10928529

Structure

InChI Key WFXSOGZBNQWNIV-UHFFFAOYSA-N
Smiles O=C(N(C)C)CCCC(=O)N(C)C
InChI
InChI=1/C9H18N2O2/c1-10(2)8(12)6-5-7-9(13)11(3)4/h5-7H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18N2O2
Molecular Weight 186.14
AlogP 0.33
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 40.62
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 13424-80-1
NORMAN SUSDAT
PubChem 83434