Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0L1759048J
EPA CompTox DTXSID60149803

Structure

InChI Key GHLZUHZBBNDWHW-UHFFFAOYSA-N
Smiles CCCCCCCCC(=O)N
InChI
InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19N1O1
Molecular Weight 157.15
AlogP 3.27
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 44.08
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1120-07-6
NORMAN SUSDAT
FDA SRS 0L1759048J
PubChem 70709
ChemSpider 63875.0