1,2,3,6-TETRAHYDRO-4-(P-TOLYL)PYRIDINIUM CHLORIDE

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key QZVMFWDPMROZEK-UHFFFAOYSA-N
Smiles [Cl-].C1=CC(=CC=C1C2=CC[NH2+]CC2)C
InChI
InChI=1/C12H15N.ClH/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;/h2-6,13H,7-9H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15N
Molecular Weight 209.1
AlogP 2.79
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 12.03
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 71965-06-5
NORMAN SUSDAT
PubChem 416125
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