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

HCID 2723612CAS 51304-61-1

기본 정보

표준 SMILES: Cl.Clc1ccc(C2=CCNCC2)cc1
InChIKey: NGDJUNABWNTULX-UHFFFAOYSA-N
분자식: C11H13Cl2N
평균 분자량: 230.13 g/mol
단동위원소 질량: 229.04250478

이름 및 식별자

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

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 12 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 192

안전 및 규제

GHS 분류

GHS Classification · 4건

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.