BES sodium salt - ≥99% , CAS No.66992-27-6

CAS: 66992-27-6 Cat. No.: B120626 Molecular Weight: 235.23 EC Number: 640-879-3

GRADE & PURITY ≥99%

Synonyms

Sodium 2-(bis(2-hydroxyethyl)amino)ethanesulfonate | BES sodium salt, Vetec(TM) reagent grade, 99% | N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid sodium salt | SCHEMBL1567065 | BES sodium salt | AC-24629 | Ethanesulfonic acid, 2-[bis(2-hydroxyethyl)

Storage

Room temperature

Shipped In

Normal

Overview

useful pH range 6.4 - 7.8 pKa (25 °C) 7.1 (Free acid)

Specifications

Synonyms

Sodium 2-(bis(2-hydroxyethyl)amino)ethanesulfonate | BES sodium salt, Vetec(TM) reagent grade, 99% | N, N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid sodium salt | SCHEMBL1567065 | BES sodium salt | AC-24629 | Ethanesulfonic acid, 2-[bis(2-hydroxyethyl)

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504769574
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769574
• Canonical Smiles: C(CO)N(CCO)CCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;2-[bis(2-hydroxyethyl)amino]ethanesulfonate
• InChIKey: CFQLQLSIZOWFNV-UHFFFAOYSA-M
• INCHI: 1S/C6H15NO5S.Na/c8-4-1-7(2-5-9)3-6-13(10,11)12;/h8-9H,1-6H2,(H,10,11,12);/q;+1/p-1
• Isomeric SMILES: C(CO)N(CCO)CCS(=O)(=O)[O-].[Na+]
• WGK Germany: 3
• Molecular Weight: 235.23
• Reaxy-Rn: 18407323
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18407323&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Trialkylamines 1,2-aminoalcohols Primary alcohols Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Alcohol - Aliphatic acyclic compound
• Description: 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: Not available

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

Chemical and Physical Properties

• Molecular Weight: 235.240 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 235.049 Da
• Monoisotopic Mass: 235.049 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 209.000
• 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: 2

XLogP3

References

1. Xufei An, Hongwei Zhou, Zhao Wang, Junyao Zhang, Zhu Xiong, Hanbin Liu, Yao Yao.  (2025)  Ionically Conductive and Degradable Polyester Elastomers for Green Soft Mechanosensors.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c00186]

2. Wei-Chen Gao, Ben Fan, Junmei Hu, Yu-Dong Zhao, Xiang Sun, Defeng Cui, Jing Qiao, Wei-Bing Lu, Ying-Shi Guan.  (2025)  Elastic conductive polyurethane/PEDOT:PSS composite with self-healing and closed-loop recyclability.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.171047]

3. Shiyu Xu, Xinxin Yang, Peng Zhang, Shengyang Huang, Yuan Yuan Sun, Lirui Mao, Ho Seok Park, Pil J. Yoo.  (2025)  Hydrophilicity and Zincophilicity Coincorporated Zwitterionic Additives for High-Performance Zinc Metal Batteries.  ACS Nano,      [PMID:40888690] [10.1021/acsnano.5c12855]