1-(3-클로로프로필)-4-메틸피페라진

1-(3-Chloropropyl)-4-methylpiperazine

HCID 66906

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 104-16-5
표준 SMILES: CN1CCN(CCCCl)CC1
InChIKey: AUERUDPETOKUPT-UHFFFAOYSA-N
분자식: C8H17ClN2
평균 분자량: 176.69 g/mol
단동위원소 질량: 176.10802622

이름 및 식별자

우선 이름: 1-(3-Chloropropyl)-4-methylpiperazine
IUPAC: 1-(3-chloropropyl)-4-methylpiperazine
현지명: 1-(3-클로로프로필)-4-메틸피페라진
영어명: 1-Methyl-4-(3-chloropropyl)piperazine
분자식: C8H17ClN2
분자량: 176.69

이름 및 동의어

1-(3-Chloropropyl)-4-methylpiperazinePiperazine, 1-(3-chloropropyl)-4-methyl-N-Methylpiperazinopropyl chlorideBRN 0106074EINECS 203-181-6DTXSID901462045-23-01-00141 (Beilstein Handbook Reference)RefChem:224352DTXCID1068695203-181-6104-16-5MFCD00067335

이름 더 보기

1-(3-클로로프로필)-4-메틸피페라진1-(3-chloropropyl)-4-methyl-piperazinN-(3-Chloropropyl)-N'-methylpiperazine1-(3-Chloroprop-1-yl)-4-methylpiperazine1-(3-chloro-propyl)-4-methyl-piperazine(Dihydrochlorideform)

1-methyl-4-(3-chloropropyl)piperazine3-(4-methylpiperazino)propyl chloride1-(3-Chloro-propyl)-4-methyl-piperazine1-Chloro-3-(4-methyl-1-piperazinyl)propane1-(3-chloropropyl)-4-methyl-piperazineHM8PR2X8WUSCHEMBL1672311-(3-Chloro-propyl)-4-methyl

데이터베이스 식별자

CAS: 104-16-5
PubChem CID: 66906
DTXSID: DTXSID90146204
UNII: HM8PR2X8WU
EC Number: 203-181-6
Nikkaji: J182.178D

물성

구조 계산 물성

XLogP: 1
극성 표면적: 6.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 100

물리화학적 성질

녹는점: 128 · 128-130 °C(Solv: acetone (67-64-1))
끓는 점: 243 · 243 ºC
밀도: 1.015 · 1.015
굴절률: 1.476 · 1.476
인화점: 101 · 101 ºC
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
산도 계수 (pKa): 7 · 7+-.0.10(Predicted)
InChI: InChI=1S/C8H17ClN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3
InChIKey: AUERUDPETOKUPT-UHFFFAOYSA-N
SMILES: N1(CCCCl)CCN(C)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23577

Hazard Classes and CategoriesAcute Tox. 3 (50%)

안전 데이터

HS 번호: 2933599590

화학 및 산업

응용 분야

용도1-Methyl-4-(3-chloropropyl)piperazine can be used in the preparation of many pharmaceutically active compounds such as antiulcer agents, antitumor agents, antibiotics and anxiolytics.