Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A9392WA249
EPA CompTox DTXSID8059263

Structure

InChI Key DIAIBWNEUYXDNL-UHFFFAOYSA-N
Smiles CCCCCCN(CCCCCC)CCCCCC
InChI
InChI=1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H39N1
Molecular Weight 269.31
AlogP 6.03
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 3.24
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 102-86-3
NORMAN SUSDAT
FDA SRS A9392WA249
PubChem 66022
ChemSpider 59413.0