ChemSpider 2D Image | 4-(4-Chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinecarboxylic acid | C18H18ClNO3

4-(4-Chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinecarboxylic acid

  • Molecular FormulaC18H18ClNO3
  • Average mass331.793 Da
  • Monoisotopic mass331.097534 Da
  • ChemSpider ID25034816

More details:

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

2-Quinolinecarboxylic acid, 4-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo- [ACD/Index Name]
4-(4-Chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinecarboxylic acid [ACD/IUPAC Name]
4-(4-Chlorphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-chinolincarbonsäure [German] [ACD/IUPAC Name]
Acide 4-(4-chlorophényl)-7,7-diméthyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinoléinecarboxylique [French] [ACD/IUPAC Name]
1233334-75-2 [RN]
4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-2-carboxylic acid
4-(4-Chloro-phenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-2-carboxylic acid
4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-2-carboxylic acid
MFCD22374923 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 530.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.8±3.0 kJ/mol
    Flash Point: 274.7±30.1 °C
    Index of Refraction: 1.630
    Molar Refractivity: 87.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): 2.41
    ACD/BCF (pH 5.5): 21.03
    ACD/KOC (pH 5.5): 143.95
    ACD/LogD (pH 7.4): 0.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.31
    Polar Surface Area: 66 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 56.9±5.0 dyne/cm
    Molar Volume: 246.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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