Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9Z4SJX5GW1
EPA CompTox DTXSID1061499

Structure

InChI Key IFTIBNDWGNYRLS-UHFFFAOYSA-N
Smiles CCCN(CCC)C(=O)C
InChI
InChI=1S/C8H17NO/c1-4-6-9(7-5-2)8(3)10/h4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17N1O1
Molecular Weight 143.13
AlogP 1.65
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 20.31
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1116-24-1
NORMAN SUSDAT
FDA SRS 9Z4SJX5GW1
PubChem 70690
ChemSpider 63856.0