1-(2-클로로아세틸)-4-메틸-피페라진HCL

2-Chloro-1-(4-methylpiperazin-1-yl)ethanone

HCID 818173CAS 40340-73-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCN(C(=O)CCl)CC1
InChIKey: OTHMDVZIZBUTIE-UHFFFAOYSA-N
분자식: C7H13ClN2O
평균 분자량: 176.64 g/mol

이름 및 식별자

우선 이름: 2-Chloro-1-(4-methylpiperazin-1-yl)ethanone
IUPAC: 2-chloro-1-(4-methylpiperazin-1-yl)ethanone
현지명: 1-(2-클로로아세틸)-4-메틸-피페라진HCL
영어명: 1-(2-Chloroacetyl)-4-methyl-piperazine HCl
분자식: C7H13ClN2O
분자량: 176.64

이름 및 동의어

40340-73-62-chloro-1-(4-methylpiperazin-1-yl)ethanone2-Chloro-1-(4-methyl-piperazin-1-yl)-ethanone1-(chloroacetyl)-4-methylpiperazine2-chloro-1-(4-methylpiperazin-1-yl)ethan-1-oneMFCD002970292-chloro-1-(4-methylpiperazinyl)ethan-1-one1-(2-chloroacetyl)-4-methyl-piperazinehydrochloridePiperazine, 1-(chloroacetyl)-4-methyl-SCHEMBL318820CHEMBL23382941-chloroacetyl-4-methylpiperazine

이름 더 보기

1-(2-클로로아세틸)-4-메틸-피페라진HCL2-CHLORO-1-(4-METHYL-PIPERAZIN-1-YL)-ETHANONE HCLZinc003328411-(2-Chloroacetyl)-4-methyl-pipera1-(2-Chloroacetyl)-4-methyl-piperazine1-(chloroacetyl)-4-methylpiperazineHCl1-(2-Chloroacetyl)-4-methyl-piperazine HCl2-Chloro-1-(4-methyl-1-piperazinyl)ethanone1-(2-CHLOROACETYL)-4-METHYL-PIPERAZINE X HCLEthanone, 2-chloro-1-(4-methyl-1-piperazinyl)-2-Chloro-1-(4-methyl-1-piperazinyl)ethanone HCl

OTHMDVZIZBUTIE-UHFFFAOYSA-NBBL028491EBC-81021SBB010603STK870522AKOS000263950NCGC00660902-01VS-08795

데이터베이스 식별자

CAS: 40340-73-6
PubChem CID: 818173
ChEMBL: CHEMBL2338294
EC Number: 673-877-6

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 23.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 143

물리화학적 성질

녹는점: 195.5 · 195.5~196℃
끓는 점: 278.4 · 278.4±35.0 °C(Predicted)
밀도: 1.168 · 1.168±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 6.69 · 6.69±0.10(Predicted)

화학적 성질

White solid

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.