Hepps

HCID 85255CAS 16052-06-5

部分構造検索類似構造を探す

基本情報

標準SMILES: O=S(=O)(O)CCCN1CCN(CCO)CC1
InChIKey: OWXMKDGYPWMGEB-UHFFFAOYSA-N
分子式: C9H20N2O4S
平均分子量: 252.33 g/mol
単同位体質量: 252.11437812

概要

HEPPS is a N-(2-hydroxyethyl)piperazine and a N-(sulfoalkyl)piperazine.

名称と識別子

優先名称: Hepps
IUPAC: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid

名称と別名

Hepps16052-06-53-(4-(2-Hydroxyethyl)piperazin-1-yl)propane-1-sulfonic acid1-Piperazinepropanesulfonic acid, 4-(2-hydroxyethyl)-3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID3-[4-(2-Hydroxyethyl)-1-piperazinyl]propanesulfonic AcidN-(2-Hydroxyethyl)piperazine-N'-(3-propanesulfonic acid)4-(2-Hydroxyethyl)piperazine-1-propanesulfonic acidEINECS 240-198-88JN5PQW99CBRN 3957385N-2-Hydroxyethylpiperazine-N'-3-propanesulfonic acid

名称をさらに表示

DTXSID3066003CHEBI:42298N-(2-Hydroxyethyl)-1-piperazinepropanesulfonic acidN-2-Hydroxyethylpiperazine-N-3-propanesulfonic acid4-(2-Hydroxyethyl)piperazine-1-propane-3-sulfonic acid3-(4-(2-Hydroxyethyl)-1-piperazinyl)propanesulfonic acidRefChem:145584DTXCID5035169

データベース識別子

CAS: 16052-06-5
PubChem CID: 85255
DTXSID: DTXSID3066003
ChEBI: CHEBI:42298
UNII: 8JN5PQW99C
EC Number: 240-198-8
Nikkaji: J219.951C

物性

構造計算による物性

XLogP: -3.6
極性表面積: 89.5 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 6
重原子数: 16
形式電荷: 0
複雑度: 280

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Piperazines

Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 94.2% (65 of 69) of all reports.

Not Classified

Aggregated GHS information provided per 69 reports by companies from 6 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1-Piperazinepropanesulfonic acid, 4-(2-hydroxyethyl)-

Status: Active Update: 09-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32799

1-Piperazinepropanesulphonic acid, 4-(2-hydroxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryOral LD50 (quail) > 316 mg/kg; [RTECS] An eye irritant; [Sigma-Aldrich MSDS] See Piperazine and salts. See HEPES.

Hazard Classes and CategoriesNot Classified

化学と産業

用途と製造

General Manufacturing Information1-Piperazinepropanesulfonic acid, 4-(2-hydroxyethyl)-: ACTIVE