4-메틸피페라진-1-카르보닐클로라이드

4-Methyl-1-piperazinecarbonyl chloride

HCID 3016935CAS 39539-66-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCN(C(=O)Cl)CC1
InChIKey: FBAIGEMWTOSCRU-UHFFFAOYSA-N
분자식: C6H11ClN2O
평균 분자량: 162.62 g/mol
단동위원소 질량: 162.05599065

이름 및 식별자

우선 이름: 4-Methyl-1-piperazinecarbonyl chloride
IUPAC: 4-methylpiperazine-1-carbonyl chloride
현지명: 4-메틸피페라진-1-카르보닐클로라이드
영어명: 4-Methylpiperazine-1-carbonyl chloride
분자식: C6H11ClN2O
분자량: 162.62

이름 및 동의어

4-Methyl-1-piperazinecarbonyl chlorideRefChem:524959628-318-04-methylpiperazine-1-carbonyl Chloride39539-66-71-Piperazinecarbonyl chloride, 4-methyl-MFCD013205094-Methyl-piperazine-1-carbonyl chloride4-methylpiperazinecarbonyl chloride1-chlorocarbonyl-4-methylpiperazine4-Methylpierazine-1-carbonylchloride1-chlorocarbonyl-4-methyl-piperazine

이름 더 보기

4-메틸피페라진-1-카르보닐클로라이드SURI-006Zopiclone Impurity 94-METHYLPIPERZINE-1-CARBONYL CHLORIDE

4-Methylpiperazine-1-carbonylchlorideMETHYL PIPERAZINE CARBAMOYL CHLORIDE4-METHYL-1-CHLOROCARBONYL PIPERAZINEWVQ4QV36ETSCHEMBL19486DTXSID303885001-chlorocarbonyl-4methylpiperazine1-methyl-4-chloroformyl-piperazine

데이터베이스 식별자

CAS: 39539-66-7
PubChem CID: 3016935
DTXSID: DTXSID30388500
UNII: WVQ4QV36ET
EC Number: 628-318-0
Nikkaji: J323.125I

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 23.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 132

물리화학적 성질

녹는점: 225 · 225-228 °C(lit.)
끓는 점: 278 · 278-279 °C(lit.)
밀도: 1.2 g/mL · 1.200 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4980(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 6.61 · 6.61±0.10(Predicted)
색상: 무색~갈색
InChI: 1S/C6H11ClN2O/c1-8-2-4-9(5-3-8)6(7)10/h2-5H2,1H3
InChIKey: FBAIGEMWTOSCRU-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C(Cl)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.