ChemSpider 2D Image | 4-[Methyl(tetrahydro-3-thiophenyl)amino]cyclohexanecarboxylic acid | C12H21NO2S

4-[Methyl(tetrahydro-3-thiophenyl)amino]cyclohexanecarboxylic acid

  • Molecular FormulaC12H21NO2S
  • Average mass243.366 Da
  • Monoisotopic mass243.129303 Da
  • ChemSpider ID53615609

More details:

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

4-[Methyl(tetrahydro-3-thiophenyl)amino]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
4-[Methyl(tetrahydro-3-thiophenyl)amino]cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 4-[méthyl(tétrahydro-3-thiophényl)amino]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[methyl(tetrahydro-3-thienyl)amino]- [ACD/Index Name]
2090607-79-5 [RN]
4-(methyl(tetrahydrothiophen-3-yl)amino)cyclohexane-1-carboxylic acid
MFCD29998089

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 404.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 72.0±6.0 kJ/mol
    Flash Point: 198.7±28.7 °C
    Index of Refraction: 1.563
    Molar Refractivity: 67.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.53
    ACD/LogD (pH 5.5): -0.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 49.2±5.0 dyne/cm
    Molar Volume: 206.3±5.0 cm3

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