Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII XF7XD5P9KG
EPA CompTox DTXSID2047935

Structure

InChI Key JEOSMYVMLZTQOH-UHFFFAOYSA-M
Smiles [Cl-].CCCCCC[n+]1ccccc1
InChI
InChI=1S/C11H18N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18N1
Molecular Weight 164.14
AlogP 2.55
Number of Rotational Bond 5.0
Polar Surface Area 3.88
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 6220-15-1
NORMAN SUSDAT
FDA SRS XF7XD5P9KG
PubChem 2734172
ChemSpider 2015928.0