Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C69P29RX5K
EPA CompTox DTXSID1061786

Structure

InChI Key MEXKFCWMWJZDMF-UHFFFAOYSA-N
Smiles CCCCN(CCCC)C(=O)C
InChI
InChI=1S/C10H21NO/c1-4-6-8-11(10(3)12)9-7-5-2/h4-9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21N1O1
Molecular Weight 171.16
AlogP 2.44
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 20.31
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 1563-90-2
NORMAN SUSDAT
FDA SRS C69P29RX5K
PubChem 73811
ChemSpider 66446.0