Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7T3TWL8CA7
EPA CompTox DTXSID2021862

Structure

InChI Key GRGNJBKJCVOFEO-UHFFFAOYSA-N
Smiles CCN(CC)CCCC(=O)C
InChI
InChI=1S/C9H19NO/c1-4-10(5-2)8-6-7-9(3)11/h4-8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19N1O1
Molecular Weight 157.15
AlogP 1.7
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 20.31
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 105-14-6
NORMAN SUSDAT
FDA SRS 7T3TWL8CA7
PubChem 7739
ChemSpider 7453.0