TES - 超高純度、99.5%以上(T) , CAS No.7365-44-8

CAS: 7365-44-8 Cat. No.: T105114 分子式: C₆H₁₅NO₆S 分子量: 229.25 Beilstein Registry Number: 1957061 EC番号: 230-906-3 PubChem CID: 81831

GRADE & PURITY Ultra pure, ≥99.5%(T)

Synonyms

2-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate | N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid

Storage

常温、乾燥

Shipped In

ノーマル

概要

有用pH範囲 6.8 - 8.2 pKa (25 °C) 7.5
トリス緩衝液の構造類似体

Specifications

同義語

2-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate | N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid

仕様と純度

超高純度、99.5%以上(T)

生化学的・生理学的メカニズム

TESはTris緩衝液の構造類似体である。Goodらによって開発されたエタンスルホン酸系の生物学的緩衝液のひとつである。Goodの緩衝液の基準：中程度のpKa、最大限の水溶性、他のすべての溶媒に対する最小限の溶解性、最小限の塩類

保管条件

常温、乾燥

入荷

ノーマル

等級

Ultra pure

純度

≥99.5%(T)

名前と識別子

• パブケム・シド: 504755558
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504755558
• カノニカル・スマイル: C(CS(=O)(=O)O)NC(CO)(CO)CO
• IUPAC Name: 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid
• InChIKey: JOCBASBOOFNAJA-UHFFFAOYSA-N
• 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)
• 異性体SMILES: C(CS(=O)(=O)O)NC(CO)(CO)CO
• WGKドイツ: 1
• PubChem CID: 81831
• 分子量: 229.25
• Beilstein: 1957061
• Reaxy-Rn: 1957061

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids 1,2-aminoalcohols Dialkylamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - 1,2-aminoalcohol - Secondary aliphatic amine - Secondary amine - Organopnictogen compound - Organic oxygen compound - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• External Descriptors: amino sulfonic acid - ethanolamines - TES

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Soluble in water (500 mg/ml).
• 感度: Hygroscopic
• 融点（°C）: 216 °C(dec.)
• 分子量: 229.250 g/mol
• XLogP3: -5.800
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 229.062 Da
• Monoisotopic Mass: 229.062 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 233.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Jiang Tu, Suhui Xie, Qianyu Zhao, Jinping Guan, Chunhong Wu, Peng Wang.  (2022)  Reactive P/S/N-containing synergistic flame retardant towards eco-friendly durable flame-retardant cotton fabric: Flame-retardant property, durability and mechanism.  POLYMER TESTING,      [PMID:] [10.1016/j.polymertesting.2022.107918]