4-Methylpiperazine-1-carbonyl chloride monohydrochloride

HCID 3016934CAS 55112-42-0

기본 정보

표준 SMILES: CN1CCN(C(=O)Cl)CC1.Cl
InChIKey: WICNYNXYKZNNSN-UHFFFAOYSA-N
분자식: C6H12Cl2N2O
평균 분자량: 199.08 g/mol
단동위원소 질량: 198.03266836

이름 및 식별자

우선 이름: 4-Methylpiperazine-1-carbonyl chloride monohydrochloride
IUPAC: 4-methylpiperazine-1-carbonyl chloride;hydrochloride

이름 및 동의어

55112-42-04-Methylpiperazine-1-carbonyl chloride monohydrochlorideEINECS 259-482-8DTXSID802036331-Piperazinecarbonyl chloride, 4-methyl-, hydrochloride (1:1)RefChem:525681DTXCID10126124259-482-84-Methyl-1-piperazinecarbonyl chloride hydrochloride4-methylpiperazine-1-carbonyl chloride hydrochlorideMFCD010748754-Methyl-1-piperazinecarbonyl chloride HCl

이름 더 보기

4-methylpiperazine-1-carbonyl chloride;hydrochloride1-Piperazinecarbonyl chloride, 4-methyl-, monohydrochloride1-chlorocarbonyl-4-methylpiperazine hydrochloride7T2R5ALS8T4-Methyl-1-piperazinecarbonylChlorideHydrochlorideSCHEMBL321914GEO-01914AKOS015897706

데이터베이스 식별자

CAS: 55112-42-0
PubChem CID: 3016934
DTXSID: DTXSID80203633
UNII: 7T2R5ALS8T
EC Number: 259-482-8

물성

구조 계산 물성

극성 표면적: 23.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (62.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 167 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.