CAS 7365-44-8 N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (HCID 81831)

概要

N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid is a Good's buffer substance, pKa = 7.5 at 20 C. It is a member of ethanolamines, an amino sulfonic acid and a TES. It is functionally related to a taurine. It is a tautomer of a N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate.

名称と識別子

優先名称: N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid
IUPAC: 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid
現地名: N-トリス(ヒドロキシメチル)メチル-2-アミノエタンスルホン酸
英語名: N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic Acid
分子式: C6H15NO6S
分子量: 229.25

名称と別名

7365-44-8N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acidCHEBI:44356ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-L173DK6289Ethanesulfonic acid, 2-((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)amino)-2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]ethanesulfonic acid2-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}ethanesulfonic acidN-Tris[hydroxymethyl]methyl-2-aminoethanesulfonic acid2-((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)amino)ethanesulfonic acid2-[(2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)amino]ethanesulfonic acidRefChem:831204

名称をさらに表示

N-トリス(ヒドロキシメチル)メチル-2-アミノエタンスルホン酸TES【緩衝剤】2-[[1,1-ジ(ヒドロキシメチル)-2-ヒドロキシエチル]アミノ]エタンスルホン酸2-[[1,1-ビス(ヒドロキシメチル)-2-ヒドロキシエチル]アミノ]エタンスルホン酸N-[2-ヒドロキシ-1,1-ビス(ヒドロキシメチル)エチル]タウリン2-[[1,3-ジヒドロキシ-2-(ヒドロキシメチル)プロパン-2-イル]アミノ]エタンスルホン酸2-[[2-(ヒドロキシメチル)-1,3-ジヒドロキシプロパン-2-イル]アミノ]エタンスルホン酸2-[1,1-ビス(ヒドロキシメチル)-2-ヒドロキシエチルアミノ]エタン-1-スルホン酸2-[[2-ヒドロキシ-1,1-ビス(ヒドロキシメチル)エチル]アミノ]エタンスルホン酸2-[1,1-ビス(ヒドロキシメチル)-2-ヒドロキシエチルアミノ]エタンスルホン酸2-[2-ヒドロキシ-1,1-ビス(ヒドロキシメチル)エチルアミノ]エタンスルホン酸2-〔トリス(ヒドロキシメチル)メチル〕-2-アミノエタンスルホン酸N-〔2-ヒドロキシ-1,1-ビス(ヒドロキシメチル)エチル〕タウリンテス〔N-トリス(ヒドロキシメチル)メチル-2-アミノエタンスルホン酸〕TES 分子生物学用テス, 99%2-{[1,3-ジヒドロキシ-2-(ヒドロキシメチル)プロパン-2-イル]アミノ}エタン-1-スルホン酸2-[1,3-ジヒドロキシ-2-(ヒドロキシメチル)プロパン-2-イルアミノ]エタンスルホン酸TES,2-[(2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)amino]ethanesulfonic acid, N-[Tris(hydroxymethyl)methyl]-2-aminoethanesulfonic acid, TES free acidTESSC05353TESS-2Tris TES8-Fluoro-1OmniPur TES

230-906-3TESTES bufferMFCD00007532N-tri(hydroxymethyl)methyltaurineC6H15NO6S2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID2-[Tris(hydroxymethyl)methylamino]-1-ethanesulfonic acid

データベース識別子

CAS: 7365-44-8
PubChem CID: 81831
DTXSID: DTXSID3064643
ChEBI: CHEBI:44356
UNII: L173DK6289
EC Number: 230-906-3
Nikkaji: J23.382J

物性

構造計算による物性

XLogP: -5.8
極性表面積: 135 Å²
水素結合供与体数: 5
水素結合受容体数: 7
回転可能結合数: 7
重原子数: 14
形式電荷: 0
複雑度: 233

実験および物理化学的性質

Chemical ClassesOther Uses -> Biological Buffers

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionSolid; [Merck Index] White odorless crystalline powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 225 °C · ~225 °C (dec.)
比重(密度): 1.26 · 1.260 (estimate)
屈折率: 1.55 · 1.5500 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 2 O: · H2O: 1M at20℃、透明、無色
外見: 結晶性粉末
色: 白い
臭い (Odor): 無臭
PH: 3.5 · 3.5-5.0 (25℃, 1M in H2O)
酸解離定数(Pka): 7.5 · 7.5(at 25℃)
水溶解度: 溶ける
Merck: 14 · 14,9176
BRN: 1957061 · 1957061
InChI: 1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)
InChIKey: JOCBASBOOFNAJA-UHFFFAOYSA-N
SMILES: [S](=O)(=O)([O-])CC[N+H2]C(CO)(CO)CO
CAS データベース: 7365 · 7365-44-8(CAS DataBase Reference)
EPAの化学物質情報: 2 · Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]- (7365-44-8)
Absorption: 0.045 at · ≤0.045 at 280 in H2O at 1M≤0.055 at 260 in H2O at 1M

化学的性質

化学的特性White/clear crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 88.9% (24 of 27) of all reports.

Warning

H315 (11.1%): 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 27 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Ethanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-

Ethanesulfonic acid, 2-2-hydroxy-1,1-bis(hydroxymethyl)ethylamino-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (11.1%)

安全データ

wgk: 1
tsca: TSCA listed
hs_code: 29221980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesUsed as a biological buffer; [Merck Index]

General Manufacturing InformationEthanesulfonic acid, 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-: ACTIVE

応用分野 · 2 件

使用A structural analog to Tris buffer.

使用N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic Acid (TES) probably exists in solution as a zwitterion. Because the pKa is 7.4 (physiological pH) this buffer has considerable potential for a variety of biological applications. A buffer using TES free acid can be prepared by titrating the free acid (sc-206102) with sodium hydroxide to the desired pH, using about a half-equivalent of NaOH. Alternatively, solutions of equimolar TES free acid and TES sodium (sc-264384) can be mixed to attain a buffer of the desired pH. It has been shown to be toxic in vitro, but this toxicity may be due to its ability to form metal chelate complexes that are toxic for cells. TES is a commonly used biological buffering agent.