ChemSpider 2D Image | 1-[[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino]cyclohexanecarboxylic acid | C17H25NO4S

1-[[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino]cyclohexanecarboxylic acid

  • Molecular FormulaC17H25NO4S
  • Average mass339.450 Da
  • Monoisotopic mass339.150421 Da
  • ChemSpider ID21476897

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino]cyclohexanecarboxylic acid
1-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}cyclohexancarbonsäure [German] [ACD/IUPAC Name]
1-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}cyclohexanecarboxylic acid [ACD/IUPAC Name]
885269-54-5 [RN]
Acide 1-{[(2,3,5,6-tétraméthylphényl)sulfonyl]amino}cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1-[[(2,3,5,6-tetramethylphenyl)sulfonyl]amino]- [ACD/Index Name]
1-((2,3,5,6-tetramethylphenyl)sulfonamido)cyclohexane-1-carboxylic acid
1-(2,3,5,6-tetramethylphenylsulfonamido)cyclohexanecarboxylic acid
1-(2,3,5,6-TETRAMETHYLPHENYLSULFONYLAMINO)CYCLOHEXANECARBOXYLIC ACID
1-[(2,3,5,6-Tetramethylbenzene-1-sulfonyl)amino]cyclohexane-1-carboxylic acid
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      26-37 Alfa Aesar H31898
      36/37/38 Alfa Aesar H31898
      H315-H319-H335 Alfa Aesar H31898
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H31898
      Warning Alfa Aesar H31898
      WARNING: Irritates lungs, eyes, skin Alfa Aesar H31898

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 540.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.8±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 89.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 7.46
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 271.7±5.0 cm3

Click to predict properties on the Chemicalize site


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