CAPSO - ≥99% , CAS No.73463-39-5

CAS: 73463-39-5 Cat. No.: C105213 Summenformel: C₉H₁₉NO₄S Molekulargewicht: 237.32 Beilstein Registry Number: 5939234 EG-Nummer: 615-979-5

GRADE & PURITY ≥99%

Synonyms

CAPSO | 3-(cyclohexylamino)-2-hydroxypropane-1-sulonic acid | BBL023635 | CHEBI:183882 | DTXSID80994211 | Capso compound | 3-(cyclohexylamino)-2-hydroxy-1-propanesulphonic acid | 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy- | INEWUCPYEUEQTN-UHFF

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Übersicht

useful pH range 8.9 - 10.3 pKa (25 °C) 9.6

Specifications

Synonyme

CAPSO | 3-(cyclohexylamino)-2-hydroxypropane-1-sulonic acid | BBL023635 | CHEBI:183882 | DTXSID80994211 | Capso compound | 3-(cyclohexylamino)-2-hydroxy-1-propanesulphonic acid | 1-Propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy- | INEWUCPYEUEQTN-UHFF

Spezifikationen & Reinheit

≥99%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488192404

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192404

Kanonisches Lächeln

C1CCC(CC1)NCC(CS(=O)(=O)O)O

IUPAC Name

3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid

InChIKey

INEWUCPYEUEQTN-UHFFFAOYSA-N

INCHI

1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)

Isomere SMILES

C1CCC(CC1)NCC(CS(=O)(=O)O)O

WGK Deutschland

3

Molekulargewicht

237.32

Beilstein

5939234

Reaxy-Rn

5939234

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5939234&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Alcohol - Organosulfur compound - Organooxygen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (10 g+ 90 ml).
• Empfindlichkeit: Hygroscopic;Light and moisture sensitive;Air sensitive
• Schmelzpunkt (°C): 270-274°C
• Molekulargewicht: 237.320 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 237.103 Da
• Monoisotopic Mass: 237.103 Da
• Topological Polar Surface Area: 95.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 266.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1