Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K42CFU9PPY
EPA CompTox DTXSID9066750

Structure

InChI Key CQFRPHDWUIZNOK-UHFFFAOYSA-N
Smiles CCCCCCCCCCN(C)CCCCCCCC
InChI
InChI=1S/C19H41N/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h4-19H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H41N1
Molecular Weight 283.32
AlogP 6.42
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 3.24
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 22020-14-0
NORMAN SUSDAT
FDA SRS K42CFU9PPY
PubChem 89152
ChemSpider 80448.0