2-[4-(2-ヒドロキシエチル)-1-ピペラジニル]エタンスルホン酸
4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid
基本情報
- CAS
7365-45-9- 標準SMILES
O=S(=O)(O)CCN1CCN(CCO)CC1- InChIKey
JKMHFZQWWAIEOD-UHFFFAOYSA-N- 分子式
- C8H18N2O4S
- 平均分子量
- 238.31 g/mol
- 単同位体質量
- 238.09872806
概要
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid is a HEPES that is ethanesulfonic acid in which one of the methyl hydrogens is replaced by a 4-(2-hydroxyethyl)piperazin-1-yl group. A Good's buffer substance, pKa = 7.55 at 20 C. It is an organosulfonic acid and a HEPES. It is a conjugate acid of a 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate. It is a tautomer of a 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate.
名称と識別子
- 優先名称
- 4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid
- IUPAC
- 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
- 現地名
- 2-[4-(2-ヒドロキシエチル)-1-ピペラジニル]エタンスルホン酸
- 英語名
- HEPES
- 分子式
- C8H18N2O4S
- 分子量
- 238.3
名称と別名
HEPES7365-45-94-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-HEPES solution4-(2-Hydroxyethyl)-1-piperazineethane sulfonic acidRWW266YE9ICHEBI:42334hydroxyethylpiperazine ethane sulfonic acidNSC-166663NSC166663Monosodium Salt, HEPES
名称をさらに表示
2-[4-(2-ヒドロキシエチル)-1-ピペラジニル]エタンスルホン酸4-(2-ヒドロキシエチル)ピペラジン-1-(1-エタンスルホン酸)4-(2-ヒドロキシエチル)ピペラジン-1-エタン-1-スルホン酸4-(2-ヒドロキシエチル)-1-ピペラジンエタンスルホン酸1-(2-ヒドロキシエチル)ピペラジン-4-(エタンスルホン酸)2-[4-(2-ヒドロキシエチル)1-ピペラジニル]エタンスルホン酸2-[4-(2-ヒドロキシエチル)ピペラジノ]エタンスルホン酸4-(2-ヒドロキシエチル)ピペラジン-1-(エタン-1-スルホン酸)2-[4-(2-ヒドロキシエチル)ピペラジノ]エタン-1-スルホン酸2-[1-(2-ヒドロキシエチル)ピペラジン-4-イル]エタンスルホン酸4-(2-ヒドロキシエチル)ピペラジン-1-(エタンスルホン酸)2-[4-(2-ヒドロキシエチル)ピペラジン-1-イル]エタンスルホン酸HEPES,1M溶液ヘペス2-〔4-(2-ヒドロキシエチル)-1-ピペラジニル〕エタンスルホン酸
物性
構造計算による物性
- XLogP
- -4
- 極性表面積
- 89.5 Ų
- 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
- 5
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 267
実験および物理化学的性質
Chemical ClassesOther Uses -> Biological Buffers
Physical Description
Dry Powder; Liquid
Solid; [Merck Index] White powder; [Alfa Aesar MSDS]
Collision Cross Section151.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4044458]
物理化学的性質
- 融点
- 234 · 234-238 °C
- 沸点
- 408 ℃[at · 408℃[at 101 325 Pa]
- 比重(密度)
- 1.07 g/mL · 1.07 g/mL at 20 °C
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 20 · n20/D 1.339
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 2 O: · H2O: 1M at20℃、透明、無色
- 外見
- 粉
- 色
- 白い
- PH
- 5 · 5.0-6.5 (1Maqueous solution)
- 酸解離定数(Pka)
- 7.5 · 7.5(at 25℃)
- 由来生物
- synthetic
- 水溶解度
- 溶ける
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 95.6% (194 of 203) of all reports.
Not Classified
Aggregated GHS information provided per 203 reports by companies from 9 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-
1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 09-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13322
Hydroxyethyl piperazineethanesulfonic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Piperazine and salts.
Hazard Classes and CategoriesNot Classified
安全と保護具
Protective Action Criteria (PAC)
30 [mg/m3]
330 [mg/m3]
2000 [mg/m3]
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- TL6809000
- hs_code
- 29335995
化学と産業
薬理情報
MeSH Pharmacological ClassificationA chemical system that functions to control the levels of specific ions in solution. When the level of hydrogen ion in solution is controlled the system is called a pH buffer.
用途と製造
UsesUsed as a biological buffer; [Merck Index] A dipolar ionic buffer often used to culture embryos and other reproductive tissues; [REPROTOX]
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesCatalyst
Industry UsesCatalyst
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
1-Piperazineethanesulfonic acid, 4-(2-hydroxyethyl)-: ACTIVE
応用分野
説明HEPES has been described as one of the best all-purpose buffers available for biological research. At biological pH, the molecule is zwitterionic, and is effective as a buffer at pH 6.8 to 8.2 (pKa 7.55). It is typically used in cell culture at concentration between 5mM to 30 mM. HEPES has been used in a wide variety of applications, including tissue culture. It is commonly used to buffer cell culture media in air. HEPES finds its usage in in vitro experiments on Mg.
使用Non-toxic to cell. It is used as a hydrogen ion buffer, which can control the constant pH range for long term. The concentration is 10-50mmol/L. Generally, 20mmol/LHEPES in nutrient solution can get buffer ability.
一般的な説明HEPES buffered saline is a tissue culture buffer, which is used to maintain the pH of cell culture. It is water soluble and atmosphere independent. HEPES destroys magnesium in sodium chloride solutions.
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