ChemSpider 2D Image | ethyl 3-amino-5-(4-cyclohexylphenyl)thiophene-2-carboxylate | C19H23NO2S

ethyl 3-amino-5-(4-cyclohexylphenyl)thiophene-2-carboxylate

  • Molecular FormulaC19H23NO2S
  • Average mass329.456 Da
  • Monoisotopic mass329.144958 Da
  • ChemSpider ID28943084

More details:

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

1379811-71-8 [RN]
2-Thiophenecarboxylic acid, 3-amino-5-(4-cyclohexylphenyl)-, ethyl ester [ACD/Index Name]
3-Amino-5-(4-cyclohexylphényl)-2-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl-3-amino-5-(4-cyclohexylphenyl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
2-thiophenecarboxylic acid, 3-amino-5-(4-cyclohexylphenyl), ethyl ester
3-Amino-5-(4-cyclohexyl-phenyl)-thiophene-2-carboxylic acid ethyl ester
Ethyl 3-amino-5-(4-cyclohexylphenyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
ethyl 3-amino-5-(4-cyclohexylphenyl)thiophene-2-carboxylate
Ethyl 3-amino-5-(4-cyclohexylphenyl)-thiophene-2-carboxylate
MFCD22374935 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 522.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.6±3.0 kJ/mol
    Flash Point: 269.6±30.1 °C
    Index of Refraction: 1.594
    Molar Refractivity: 95.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 6.30
    ACD/LogD (pH 5.5): 5.13
    ACD/BCF (pH 5.5): 4622.41
    ACD/KOC (pH 5.5): 14617.85
    ACD/LogD (pH 7.4): 5.13
    ACD/BCF (pH 7.4): 4623.22
    ACD/KOC (pH 7.4): 14620.42
    Polar Surface Area: 81 Å2
    Polarizability: 38.0±0.5 10-24cm3
    Surface Tension: 47.5±3.0 dyne/cm
    Molar Volume: 282.1±3.0 cm3

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