Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N0BN0O8CSL
EPA CompTox DTXSID60872947

Structure

InChI Key CYDRXTMLKJDRQH-UHFFFAOYSA-N
Smiles CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
InChI
InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H38N1
Molecular Weight 304.3
AlogP 6.18
Number of Rotational Bond 13.0
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 10328-35-5
NORMAN SUSDAT
FDA SRS N0BN0O8CSL
PubChem 8754
ChemSpider 8424.0