Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8SUZ1123XX
EPA CompTox DTXSID4048064

Structure

InChI Key JUZXDNPBRPUIOR-UHFFFAOYSA-N
Smiles C[N+](C)(C)CCCl
InChI
InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13Cl1N1
Molecular Weight 122.07
AlogP 0.93
Number of Rotational Bond 2.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 7003-89-6
NORMAN SUSDAT
FDA SRS 8SUZ1123XX
PubChem 13837
ChemSpider 13237.0