CAS 6968-76-9 1-(3-Methoxyphenyl)piperazine dihydrochloride (HCID 81429)

기본 정보

CAS: 6968-76-9
표준 SMILES: COc1cccc(N2CCNCC2)c1.Cl.Cl
InChIKey: UKUNKQNESKRETR-UHFFFAOYSA-N
분자식: C11H18Cl2N2O
평균 분자량: 265.18 g/mol
단동위원소 질량: 264.07961856

이름 및 식별자

우선 이름: 1-(3-Methoxyphenyl)piperazine dihydrochloride
IUPAC: 1-(3-methoxyphenyl)piperazine;dihydrochloride
현지명: 1-(3-메톡시페닐)피페라진디하이드로클로라이드
영어명: 1-(3-Methoxyphenyl)piperazine dihydrochloride
분자식: C11H17ClN2O
분자량: 228.72

이름 및 동의어

1-(3-Methoxyphenyl)piperazine dihydrochloride6968-76-9N-(3-Methoxyphenyl)piperazine dihydrochlorideUNII-Q0T82QHG7NQ0T82QHG7NPiperazine, 1-(3-methoxyphenyl)-, dihydrochloride1-(3-Methoxyphenyl)piperazine HClEINECS 230-189-73-MEOPP 2HCLDTXSID20219975NSC 66266NSC-66266

이름 더 보기

1-(3-메톡시페닐)피페라진디하이드로클로라이드1-(3-METHOXYPHENYL)PIPERAZINE HYDROCHLORIDEAosha ZhongqiLeterMovir-003-2HClMetoclopramide methylLetomovir impurity 27LABOTEST-BB LT004550011-(m-Methoxyphenyl)-piperLeterMovir Impurity 5 2HClLeterMovir Impurity 4 2HCl

RefChem:196941DTXCID701424661-(3-Methoxyphenyl)piperazine 2HCl1-(3-methoxyphenyl)piperazine;dihydrochlorideC11H18Cl2N2OMFCD000352854-(3-methoxyphenyl)piperazine dihydrochloride1-(3-Methoxyphenyl)piperazine diHCl

데이터베이스 식별자

CAS: 6968-76-9
PubChem CID: 81429
DTXSID: DTXSID20219975
UNII: Q0T82QHG7N
EC Number: 230-189-7

물성

구조 계산 물성

극성 표면적: 24.5 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 201 · 201-204 °C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
색상: 흰색에서 회색 또는 분홍빛이 도는
수용성: 물에 용해됩니다.
BRN: 5647713 · 5647713
InChI: InChI=1S/C11H16N2O.ClH/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;/h2-4,9,12H,5-8H2,1H3;1H
InChIKey: QOQLPYRYJCBRNU-UHFFFAOYSA-N
SMILES: O(C1=CC=CC(N2CCNCC2)=C1)C.Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

risk_code: 36/37/38
hazard_code: Xi
safety_code: 28A-26-36

화학 및 산업

응용 분야

용도1-(3-Methoxyphenyl)piperazine dihydrochloride is used as an arylpiperazine compound which is an important intermediate in the preparation of various pharmaceuticals, used to treat depression and post-traumatic stress.