TES - Ultra pure, ≥99.5%(T) , CAS No.7365-44-8

CAS: 7365-44-8 Cat. No.: T105114 Formula: C₆H₁₅NO₆S Peso molecolare: 229.25 Beilstein Registry Number: 1957061 Numero EC: 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

Room temperature,Desiccated

Shipped In

Normal

Panoramica

useful pH range 6.8 - 8.2 pKa (25 °C) 7.5
A structural analog to Tris buffer.

Specifications

Sinonimi

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

Specifiche e purezza

Ultra pure, ≥99.5%(T)

Meccanismi biochimici e fisiologici

TES is a structural analog to Tris buffer. It is one of the ethanesulfonic acid series of biological buffers developed by Good et al. Good’s buffer criteria: midrange pKa, maximum water solubility and minimum solubility in all other solvents, minimal salt

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Grado

Ultra pure

Purezza

≥99.5%(T)

Nomi e identificatori

• Pubchem Sid: 504755558
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755558
• Sorrisi canonici: 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)
• Isomeri SMILES: C(CS(=O)(=O)O)NC(CO)(CO)CO
• WGK Germania: 1
• PubChem CID: 81831
• Peso molecolare: 229.25
• Beilstein: 1957061
• Reaxy-Rn: 1957061

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (500 mg/ml).
• Sensibilità: Hygroscopic
• Punto di fusione (°C): 216 °C(dec.)
• Peso molecolare: 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

Riferimenti

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]