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

HCID 2723612CAS 51304-61-1

基本情報

標準SMILES: Cl.Clc1ccc(C2=CCNCC2)cc1
InChIKey: NGDJUNABWNTULX-UHFFFAOYSA-N
分子式: C11H13Cl2N
平均分子量: 230.13 g/mol
単同位体質量: 229.04250478

名称と識別子

優先名称: 4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridinium chloride
IUPAC: 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 12 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 192

安全と法規制

GHS分類

GHS Classification · 4 件

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.