Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I40965UY86
EPA CompTox DTXSID3047635

Structure

InChI Key XTAZYLNFDRKIHJ-UHFFFAOYSA-N
Smiles CCCCCCCCN(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H51N1
Molecular Weight 353.4
AlogP 8.37
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 21.0
Polar Surface Area 3.24
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 1116-76-3
NORMAN SUSDAT
FDA SRS I40965UY86
PubChem 14227
ChemSpider 13591.0