Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII B2YOU5667H
EPA CompTox DTXSID80897379

Structure

InChI Key FFGSPQDSOUPWGY-UHFFFAOYSA-M
Smiles [Br-].CCCCCCCCCCCC[N+](C)(C)CC
InChI
InChI=1/C16H36N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;/h5-16H2,1-4H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H36BrN
Molecular Weight 321.2
AlogP 2.01
Number of Rotational Bond 12.0
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 68207-00-1
NORMAN SUSDAT
FDA SRS B2YOU5667H
PubChem 9880197
ChemSpider 8055873.0