Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CBU2X6BBJR
EPA CompTox DTXSID3045011

Structure

InChI Key DZLFLBLQUQXARW-UHFFFAOYSA-N
Smiles CCCC[N+](CCCC)(CCCC)CCCC
InChI
InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H36N1
Molecular Weight 242.28
AlogP 5.0
Number of Rotational Bond 12.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 10549-76-5
NORMAN SUSDAT
FDA SRS CBU2X6BBJR
PubChem 16028
ChemSpider 15220.0