CHES - ≥99%(T) , CAS No.103-47-9

CAS: 103-47-9 Cat. No.: C110898 Formula: C₈H₁₇NO₃S Molecular Weight: 207.29 Beilstein Registry Number: 2967601 EC Number: 203-115-6

GRADE & PURITY ≥99%(T)

Synonyms

CHES|2-(Cyclohexylamino)ethanesulfonic acid pound CHES pound(c)|2-(Cyclohexylamino)ethanesulfonic acid|2-(Cyclohexylamino)ethanesulphonic acid|Taurine, N-cyclohexyl-|CHES [MI]|N-CYCLOHEXYLTAURINE; CHES|2-Cyclohexylaminoethanesulfonic Acid|2-(cyclohexylamino)ethane-1-sulfonic acid|Ethanesulfonic acid, 2-(cyclohexylamino)-|Ethanesulfonic acid, 2-cyclohexylamino-|N-Cyclohexyl-2-aminoethanesulfonic acid|NHE|N-Cyclohexyltaurine|2-(N-Cyclohexylamino)ethanesulfonic acid

Storage

Room temperature,Argon charged,Desiccated

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.

Specifications

Synonyms

CHES | 2-(Cyclohexylamino)ethanesulfonic acid pound CHES pound(c) | 2-(Cyclohexylamino)ethanesulfonic acid | 2-(Cyclohexylamino)ethanesulphonic acid | Taurine, N-cyclohexyl- | CHES [MI] | N-CYCLOHEXYLTAURINE; CHES | 2-Cyclohexylaminoethanesulfonic Acid | 2-(cyclohexylamino)ethane-1-sulfonic acid | Ethanesulfonic acid, 2-(cyclohexylamino) Show more

Specifications & Purity

≥99%(T)

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Purity

≥99%(T)

Names and Identifiers

Pubchem Sid

508808403

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808403

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
• x_melt_point_char: >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