ChemSpider 2D Image | trans-4-{[(2-Methyl-2-propanyl)sulfonyl]amino}cyclohexanecarboxylic acid | C11H21NO4S

trans-4-{[(2-Methyl-2-propanyl)sulfonyl]amino}cyclohexanecarboxylic acid

  • Molecular FormulaC11H21NO4S
  • Average mass263.354 Da
  • Monoisotopic mass263.119141 Da
  • ChemSpider ID24609567

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide trans-4-{[(2-méthyl-2-propanyl)sulfonyl]amino}cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[(1,1-dimethylethyl)sulfonyl]amino]-, trans- [ACD/Index Name]
trans-4-{[(2-Methyl-2-propanyl)sulfonyl]amino}cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-{[(2-Methyl-2-propanyl)sulfonyl]amino}cyclohexanecarboxylic acid [ACD/IUPAC Name]
(1r,4r)-4-(1,1-dimethyl ethylsulfonamido)cyclohexanecarboxylic acid
(1r,4r)-4-(1,1-dimethylethylsulfonamido)cyclohexanecarboxylic acid
(1R,4R)-4-(1,1-Dimethylethylsulfonamido)-cyclohexanecarboxylic acid
(1r,4r)-4-(1,1-dimethylethylsulfonamido)cyclohexanecarboxylicacid
[342578-12-5] [RN]
342578-12-5 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 418.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.8±6.0 kJ/mol
    Flash Point: 207.1±31.5 °C
    Index of Refraction: 1.516
    Molar Refractivity: 65.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.06
    ACD/LogD (pH 5.5): 0.59
    ACD/BCF (pH 5.5): 1.02
    ACD/KOC (pH 5.5): 19.79
    ACD/LogD (pH 7.4): -1.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 25.8±0.5 10-24cm3
    Surface Tension: 46.8±5.0 dyne/cm
    Molar Volume: 215.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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