Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7HZE16210B
EPA CompTox DTXSID80183289

Structure

InChI Key NZVZVGPYTICZBZ-UHFFFAOYSA-N
Smiles [Cl-].C(N1CCCCC1)c1ccccc1.[H+]
InChI
InChI=1S/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H17N1
Molecular Weight 175.14
AlogP 2.67
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 2905-56-8
NORMAN SUSDAT
FDA SRS 7HZE16210B
PubChem 76190
ChemSpider 68673.0