CHES - ≥99%(T) , CAS No.103-47-9

CAS: 103-47-9 Cat. No.: C110898 Fórmula: C₈H₁₇NO₃S Peso molecular: 207.29 Beilstein Registry Number: 2967601 Número CE: 203-115-6

GRAU & PUREZA ≥99%(T)

Synonyms

CHES | 2-(Cyclohexylamino)ethanesulfonic acid pound CHES pound(c) | W-108849 | 2-(Cyclohexylamino)ethanesulfonic acid | CHES, Vetec(TM) reagent grade, 99% | DF6D31A1-88EA-4A0F-907D-9F40C66339BF | DB03309 | 2-(Cyclohexylamino)ethanesulphonic acid | HY-D08

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Visão geral

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.

Especificações

Sinónimos

CHES | 2-(Cyclohexylamino)ethanesulfonic acid pound CHES pound(c) | W-108849 | 2-(Cyclohexylamino)ethanesulfonic acid | CHES, Vetec(TM) reagent grade, 99% | DF6D31A1-88EA-4A0F-907D-9F40C66339BF | DB03309 | 2-(Cyclohexylamino)ethanesulphonic acid | HY-D08

Especificações e pureza

≥99%(T)

Condições de armazenamento de armazenamento

Room temperature,Argon charged,Desiccated

Enviado em

Normal

Pureza

≥99%(T)

Nomes e identificadores

Pubchem Sid

508808403

Pubchem Sid Url

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

Sorrisos canónicos

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)

SMILES isoméricas

C1CCC(CC1)NCCS(=O)(=O)O

WGK Alemanha

3

Peso molecular

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
    • Classe Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water (103.6 g/l) at 20 °C.
• Sensibilidade: Hygroscopic
• Ponto de fusão (°C): >300℃
• Peso molecular: 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