1-Acetyl-4-(2-hydroxyethyl)piperazine

HCID 4739629CAS 83502-55-0

基本情報

標準SMILES: CC(=O)N1CCN(CCO)CC1
InChIKey: MRGOMLFEVPNISR-UHFFFAOYSA-N
分子式: C8H16N2O2
平均分子量: 172.22 g/mol

名称と識別子

優先名称: 1-Acetyl-4-(2-hydroxyethyl)piperazine
IUPAC: 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

名称と別名

1-Acetyl-4-(2-hydroxyethyl)piperazineRefChem:428997632-916-783502-55-01-[4-(2-hydroxyethyl)-1-piperazinyl]Ethanone1-(4-(2-Hydroxyethyl)piperazin-1-yl)ethanone1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanoneMFCD025851551-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-ethanone2-(4-ACETYLPIPERAZIN-1-YL)ETHANOL1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one1-Piperazineethanol, 4-acetyl-

名称をさらに表示

1-(4-(2-Hydroxyethyl)-1-piperazinyl)ethanone1-(4-(2-Hydroxyethyl)piperazin-1-yl)ethan-1-one1-acetyl-4-(2-hydroxy-ethyl)piperazine hydrochlorideSCHEMBL297533SCHEMBL3780222-(4-acetylpiperazino)ethanolSCHEMBL3311853MRGOMLFEVPNISR-UHFFFAOYSA-N

データベース識別子

CAS: 83502-55-0
PubChem CID: 4739629
EC Number: 632-916-7
Nikkaji: J2.236.496K

物性

構造計算による物性

XLogP: -1.1
極性表面積: 43.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 153

安全と法規制

GHS分類

GHS Classification · 4 件

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.