2-(Bis(2-hydroxyethyl)amino)ethanesulphonic acid

HCID 73243CAS 10191-18-1

基本情報

標準SMILES: O=S(=O)(O)CCN(CCO)CCO
InChIKey: AJTVSSFTXWNIRG-UHFFFAOYSA-N
分子式: C6H15NO5S
平均分子量: 213.25 g/mol
単同位体質量: 213.06709358

概要

2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid is a Good's buffer substance, pKa = 7.15 at 20 C. It is an amino sulfonic acid and a BES. It is a conjugate acid of a 2-[bis(2-hydroxyethyl)amino]ethanesulfonate. It is a tautomer of a 2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate.

名称と識別子

優先名称: 2-(Bis(2-hydroxyethyl)amino)ethanesulphonic acid
IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid

名称と別名

Ethanesulfonic acid, 2-[bis(2-hydroxyethyl)amino]-2-(Bis(2-hydroxyethyl)amino)ethanesulphonic acidEthanesulfonic acid, 2-(bis(2-hydroxyethyl)amino)-DTXSID80649852-[bis(2-hydroxyethyl)amino]ethanesulphonic acidRefChem:459873DTXCID0032659Ethanesulfonic acid, 2-bis(2-hydroxyethyl)amino-233-465-510191-18-1N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acidBES

名称をさらに表示

2-[Bis(2-Hydroxyethyl)amino]ethanesulfonic acidN,N-Bis(hydroxyethyl)-2-aminoethanesulfonic acidN,N-Bis(2-hydroxyethyl)taurine2-(Bis(2-hydroxyethyl)amino)ethanesulfonic acidTaurine, N,N-bis(2-hydroxyethyl)-NSC 1666672-(Bis(2-Hydroxyethyl)Amino)-EthanesulfonicacidMFCD00007533

データベース識別子

CAS: 10191-18-1
PubChem CID: 73243
DTXSID: DTXSID8064985
ChEBI: CHEBI:39041
EC Number: 233-465-5
Nikkaji: J43.060I

物性

構造計算による物性

XLogP: -4.5
極性表面積: 106 Å²
水素結合供与体数: 3
水素結合受容体数: 6
回転可能結合数: 7
重原子数: 13
形式電荷: 0
複雑度: 204

実験および物理化学的性質

Chemical ClassesOther Uses -> Biological Buffers

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 25.8% (25 of 97) of reports.

Warning

H315 (74.2%): 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 97 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Ethanesulfonic acid, 2-[bis(2-hydroxyethyl)amino]-

Status: Active Update: 23-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22944

Ethanesulfonic acid, 2-bis(2-hydroxyethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (74.2%)

化学と産業

用途と製造

UsesBuffer for physiological pH range. [ChemIDplus]

General Manufacturing InformationEthanesulfonic acid, 2-[bis(2-hydroxyethyl)amino]-: ACTIVE