Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N8LD3AKK7H
EPA CompTox DTXSID8064016

Structure

InChI Key OAERLTPBKQBWHJ-UHFFFAOYSA-N
Smiles CCCCCC(=O)N(C)C
InChI
InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/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 5830-30-8
NORMAN SUSDAT
FDA SRS N8LD3AKK7H
PubChem 22084
ChemSpider 20753.0