ChemSpider 2D Image | 2-(3-Isobutoxyphenyl)-8-methyl-4-quinolinecarboxylic acid | C21H21NO3

2-(3-Isobutoxyphenyl)-8-methyl-4-quinolinecarboxylic acid

  • Molecular FormulaC21H21NO3
  • Average mass335.396 Da
  • Monoisotopic mass335.152130 Da
  • ChemSpider ID21329852

More details:

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

2-(3-Isobutoxyphenyl)-8-methyl-4-chinolincarbonsäure [German] [ACD/IUPAC Name]
2-(3-Isobutoxyphenyl)-8-methyl-4-quinolinecarboxylic acid [ACD/IUPAC Name]
2-(3-Isobutoxyphenyl)-8-methylquinoline-4-carboxylic acid
4-Quinolinecarboxylic acid, 8-methyl-2-[3-(2-methylpropoxy)phenyl]- [ACD/Index Name]
8-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
932796-07-1 [RN]
Acide 2-(3-isobutoxyphényl)-8-méthyl-4-quinoléinecarboxylique [French] [ACD/IUPAC Name]
2-(3-Isobutoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid
VS-06590

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

MFCD03420047 [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: 513.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.6±3.0 kJ/mol
    Flash Point: 264.2±30.1 °C
    Index of Refraction: 1.613
    Molar Refractivity: 99.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.63
    ACD/LogD (pH 5.5): 2.76
    ACD/BCF (pH 5.5): 18.32
    ACD/KOC (pH 5.5): 53.72
    ACD/LogD (pH 7.4): 2.17
    ACD/BCF (pH 7.4): 4.68
    ACD/KOC (pH 7.4): 13.73
    Polar Surface Area: 59 Å2
    Polarizability: 39.3±0.5 10-24cm3
    Surface Tension: 48.6±3.0 dyne/cm
    Molar Volume: 284.8±3.0 cm3

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