4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinium chloride

HCID 2723612CAS 51304-61-1

Substructure search Find similar structures

Basic information

Standard SMILES: Cl.Clc1ccc(C2=CCNCC2)cc1
InChIKey: NGDJUNABWNTULX-UHFFFAOYSA-N
Molecular formula: C11H13Cl2N
Average molar mass: 230.13 g/mol
Monoisotopic mass: 229.04250478

Names & identifiers

Preferred name: 4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinium chloride
IUPAC: 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride

Names & synonyms

51304-61-1EINECS 257-126-64-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinium chlorideDTXSID20199304RefChem:514066DTXCID10121795257-126-64-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine hydrochlorideMFCD00012753CHEMBL20115664-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride4-(4-CHLOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE HCL

Show more names

Pyridine, 4-(4-chlorophenyl)-1,2,3,6-tetrahydro-, hydrochloride4-(4-chlorophenyl)-1,2,5,6-tetrahydropyridine, chlorideTIMTEC-BB SBB003282Haloperidol Impurity 3LW3UBX2DKLSCHEMBL6528124-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine monohydrochlorideBCA30461

Database identifiers

CAS: 51304-61-1
PubChem CID: 2723612
DTXSID: DTXSID20199304
ChEMBL: CHEMBL2011566
UNII: LW3UBX2DKL
EC Number: 257-126-6

Properties

Computed structural properties

Topological polar surface area: 12 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 192

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.