CHES - ≥99.5%(T) , CAS No.103-47-9

CAS: 103-47-9 Cat. No.: C110897 Molecular Weight: 207.29 Beilstein Registry Number: 2967601 EC Number: 203-115-6

GRADE & PURITY ≥99.5%(T)

Synonyms

2-Cyclohexylaminoethanesulfonic Acid | N-Cyclohexyltaurine | 2-(N-Cyclohexylamino)ethanesulfonic acid

Storage

Protected from light,Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

CHES (2-(Cyclohexylamino)ethanesulfonic acid) is a zwitterionic N-substituted aminosulfonic acid. CHES is used as a buffer for studying pH-dependent processes in enzymology. The compound has been shown to have an unusually high affinity for the iodoacetate binding site of liver alcohol dehydrogenase. The compound, which has a has a pKa of 9.49 at 25°C, is useful for the pH 8.6-10.0 range.

A zwitterionic buffering agent.

CHES has been used:

· as a buffer in mannanase activity assay of antarctic fungal isolates

· as a buffer for DNA digestion and labeling of 2′-deoxyadenosine 3′-monophosphate

· as a component of Wilson and Horne extraction buffer for characterization of rat plasma enzymes

Specifications

Synonyms

2-Cyclohexylaminoethanesulfonic Acid | N-Cyclohexyltaurine | 2-(N-Cyclohexylamino)ethanesulfonic acid

Specifications & Purity

≥99.5%(T)

Storage

Protected from light, Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥99.5%(T)

Names and Identifiers

• Pubchem Sid: 504754103
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754103
• Canonical Smiles: C1CCC(CC1)NCCS(=O)(=O)O
• IUPAC Name: 2-(cyclohexylamino)ethanesulfonic acid
• InChIKey: MKWKNSIESPFAQN-UHFFFAOYSA-N
• INCHI: 1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)
• Isomeric SMILES: C1CCC(CC1)NCCS(=O)(=O)O
• WGK Germany: 3
• Molecular Weight: 207.29
• Beilstein: 2967601
• Reaxy-Rn: 2967601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2967601&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Amine - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.
• 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

• Solubility: Soluble in water (103.6 g/l) at 20 °C.
• Sensitivity: Hygroscopic；Light sensitive
• Melt Point(°C): >300℃
• Molecular Weight: 207.290 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 207.093 Da
• Monoisotopic Mass: 207.093 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 226.000
• 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

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