ChemSpider 2D Image | 6,8-Dimethyl-2-(2-propoxyphenyl)-4-quinolinecarboxylic acid | C21H21NO3

6,8-Dimethyl-2-(2-propoxyphenyl)-4-quinolinecarboxylic acid

  • Molecular FormulaC21H21NO3
  • Average mass335.396 Da
  • Monoisotopic mass335.152130 Da
  • ChemSpider ID21329862

More details:

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

4-Quinolinecarboxylic acid, 6,8-dimethyl-2-(2-propoxyphenyl)- [ACD/Index Name]
6,8-Dimethyl-2-(2-propoxyphenyl)-4-chinolincarbonsäure [German] [ACD/IUPAC Name]
6,8-Dimethyl-2-(2-propoxyphenyl)-4-quinolinecarboxylic acid [ACD/IUPAC Name]
6,8-Dimethyl-2-(2-propoxyphenyl)quinoline-4-carboxylic acid
932928-90-0 [RN]
Acide 6,8-diméthyl-2-(2-propoxyphényl)-4-quinoléinecarboxylique [French] [ACD/IUPAC Name]
VS-14170

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

MFCD03420083 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 498.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.7±3.0 kJ/mol
    Flash Point: 255.3±28.7 °C
    Index of Refraction: 1.616
    Molar Refractivity: 99.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.64
    ACD/LogD (pH 5.5): 2.82
    ACD/BCF (pH 5.5): 20.72
    ACD/KOC (pH 5.5): 60.01
    ACD/LogD (pH 7.4): 2.20
    ACD/BCF (pH 7.4): 4.97
    ACD/KOC (pH 7.4): 14.40
    Polar Surface Area: 59 Å2
    Polarizability: 39.4±0.5 10-24cm3
    Surface Tension: 49.1±3.0 dyne/cm
    Molar Volume: 284.2±3.0 cm3

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