CABS(CABS) - ≥98% , CAS No.161308-34-5

CAS: 161308-34-5 Cat. No.: C120628 Fórmula: C₁₀H₂₁NO₃S Peso molecular: 235.34 Número CE: 629-080-0

GRADE & PURITY ≥98%

Synonyms

CABS | 4-(cyclohexylamino)-1-butanesulfonic acid | 4-[CYCLOHEXYLAMINO]-1-BUTANESULFONIC ACID | XNPKNHHFCKSMRV-UHFFFAOYSA-N | 1-Butanesulfonicacid,4-(cyclohexylamino)- | CABS, >=98% | SCHEMBL165817 | 1-Butanesulfonic acid, 4-(cyclohexylamino)- | J-009809 |

Storage

Room temperature

Shipped In

Normal

Visão geral

useful pH range 10.0 - 11.4 pKa (25 °C) 10.7
Homolog of CHES and CAPS with higher pKa and similar utility in biological systems.

Specifications

Sinónimos

CABS | 4-(cyclohexylamino)-1-butanesulfonic acid | 4-[CYCLOHEXYLAMINO]-1-BUTANESULFONIC ACID | XNPKNHHFCKSMRV-UHFFFAOYSA-N | 1-Butanesulfonicacid,4-(cyclohexylamino)- | CABS, >=98% | SCHEMBL165817 | 1-Butanesulfonic acid, 4-(cyclohexylamino)- | J-009809 |

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 508809301
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508809301
• Sorrisos canónicos: C1CCC(CC1)NCCCCS(=O)(=O)O
• IUPAC Name: 4-(cyclohexylamino)butane-1-sulfonic acid
• InChIKey: XNPKNHHFCKSMRV-UHFFFAOYSA-N
• INCHI: 1S/C10H21NO3S/c12-15(13,14)9-5-4-8-11-10-6-2-1-3-7-10/h10-11H,1-9H2,(H,12,13,14)
• SMILES isoméricas: C1CCC(CC1)NCCCCS(=O)(=O)O
• WGK Alemanha: 3
• Peso molecular: 235.34
• Reaxy-Rn: 11686785
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11686785&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 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 - 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

• Peso molecular: 235.350 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 235.124 Da
• Monoisotopic Mass: 235.124 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 252.000
• 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