CHES - UltraBio™, ≥99.5%(T) , CAS No.103-47-9

CAS: 103-47-9 Cat. No.: C755564 分子式: C₈H₁₇NO₃S 分子量: 207.29 Beilstein Registry Number: 2967601 EC番号: 203-115-6

グレード＆純度 UltraBio™, ≥99.5%(T)

Storage

Room temperature

Shipped In

Normal

概要

Cyclohexylaminoethanesulfonic acid (CHES) is a buffering agent. Its structure contains a hydrophilic taurine (2-aminoethanesulfonic acid) moiety and a hydrophobic cyclohexyl group. CHES binds to the active site of several enzymes and inhibits substrate binding and enzymatic activity. Therefore, CHES may be used as a scaffold for new drug development for regulating enzyme activity.

Application:

2-(Cyclohexylamino)ethanesulfonic acid (CHES) has been used in the preparation of dimethyl trisulfide- polysorbate 80 (DMTS-PS80) formulation.

仕様

仕様と純度

UltraBio™, ≥99.5%(T)

有用なPH範囲

8.6-10.0

保管条件

Room temperature

入荷

Normal

等級

UltraBio™

純度

≥99.5%(T)

名前と識別子

PH

3.0-5.0 (25 °C, 0.5 M in H 2 O)

カノニカル・スマイル

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)

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 分類 Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: H 2 O: 0.5 M at 20 °C, clear, colorless
• 融点（°C）: >300℃
• 分子量: 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