(1R,2R)-(+)-N,N′-Di-p-tosyl-1,2-cyclohexanediamine - ≥98%,≥98%(ee) , CAS No.143585-47-1

CAS: 143585-47-1 Cat. No.: R472254 Peso molecular: 422.6 Número EC: 621-962-3 PubChem CID: 11146322

Synonyms

4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide | D75432 | AKOS027383596 | N,N'-[(1R,2R)-Cyclohexane-1,2-diyl]bis(4-methylbenzene-1-sulfonamide) | Benzenesulfonamide,N,N'-(1R,2R)-1,2-cyclohexanediylbis[4-methyl- | N,N'-(

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-methyl-N-[(1R, 2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide | D75432 | AKOS027383596 | N, N'-[(1R, 2R)-Cyclohexane-1, 2-diyl]bis(4-methylbenzene-1-sulfonamide) | Benzenesulfonamide, N, N'-(1R, 2R)-1, 2-cyclohexanediylbis[4-methyl- | N, N'-(

Especificaciones y pureza

≥98%, ≥98%(ee)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Nombres e identificadores

• Pubchem Sid: 488197221
• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2NS(=O)(=O)C3=CC=C(C=C3)C
• IUPAC Name: 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
• InChIKey: FIAAGQKYVFEMGC-WOJBJXKFSA-N
• INCHI: 1S/C20H26N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h7-14,19-22H,3-6H2,1-2H3/t19-,20-/m1/s1
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C3=CC=C(C=C3)C
• PubChem CID: 11146322
• Peso molecular: 422.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Tosyl compounds
          • Level6 P-toluenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Tosyl compounds
• Direct Parent: P-toluenesulfonamides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide 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

Propiedades químicas y físicas

• Rotación específica [α]: [α]22/D −3°， c = 2.33 in pyridine
• Punto de fusión (°C): 170-173°C
• Peso molecular: 422.600 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 422.133 Da
• Monoisotopic Mass: 422.133 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 633.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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