Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G6U377636C
EPA CompTox DTXSID7045023

Structure

InChI Key HJHUXWBTVVFLQI-UHFFFAOYSA-N
Smiles CCCC[N+](C)(CCCC)CCCC
InChI
InChI=1S/C13H30N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H30N1
Molecular Weight 200.24
AlogP 3.83
Number of Rotational Bond 9.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 29814-63-9
NORMAN SUSDAT
FDA SRS G6U377636C
PubChem 36209
ChemSpider 33298.0