Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FZ3YG397XB
EPA CompTox DTXSID30185399

Structure

InChI Key GBSXCHLYXIBMCZ-UHFFFAOYSA-N
Smiles CCC(CC)C(=O)N(C)C
InChI
InChI=1S/C8H17NO/c1-5-7(6-2)8(10)9(3)4/h7H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17N1O1
Molecular Weight 143.13
AlogP 1.51
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 31499-97-5
NORMAN SUSDAT
FDA SRS FZ3YG397XB
PubChem 3015572
ChemSpider 2283690.0