ChemSpider 2D Image | 4-[Methyl(tetrahydro-2H-thiopyran-4-yl)amino]cyclohexanecarboxylic acid | C13H23NO2S

4-[Methyl(tetrahydro-2H-thiopyran-4-yl)amino]cyclohexanecarboxylic acid

  • Molecular FormulaC13H23NO2S
  • Average mass257.392 Da
  • Monoisotopic mass257.144958 Da
  • ChemSpider ID53615533

More details:

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

4-[Methyl(tetrahydro-2H-thiopyran-4-yl)amino]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
4-[Methyl(tetrahydro-2H-thiopyran-4-yl)amino]cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 4-[méthyl(tétrahydro-2H-thiopyrane-4-yl)amino]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[methyl(tetrahydro-2H-thiopyran-4-yl)amino]- [ACD/Index Name]
2097984-24-0 [RN]
4-(methyl(tetrahydro-2H-thiopyran-4-yl)amino)cyclohexane-1-carboxylic acid
MFCD29998010

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 418.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.7±6.0 kJ/mol
    Flash Point: 207.0±28.7 °C
    Index of Refraction: 1.557
    Molar Refractivity: 71.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.94
    ACD/LogD (pH 5.5): -0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.48
    ACD/LogD (pH 7.4): -0.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.57
    Polar Surface Area: 66 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 48.1±5.0 dyne/cm
    Molar Volume: 222.7±5.0 cm3

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