ChemSpider 2D Image | 2-(4-Butylphenyl)-6-methyl-4-quinolinecarboxylic acid | C21H21NO2

2-(4-Butylphenyl)-6-methyl-4-quinolinecarboxylic acid

  • Molecular FormulaC21H21NO2
  • Average mass319.397 Da
  • Monoisotopic mass319.157227 Da
  • ChemSpider ID21329847

More details:

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

2-(4-Butylphenyl)-6-methyl-4-chinolincarbonsäure [German] [ACD/IUPAC Name]
2-(4-Butylphenyl)-6-methyl-4-quinolinecarboxylic acid [ACD/IUPAC Name]
2-(4-Butylphenyl)-6-methylquinoline-4-carboxylic acid
4-Quinolinecarboxylic acid, 2-(4-butylphenyl)-6-methyl- [ACD/Index Name]
932841-17-3 [RN]
Acide 2-(4-butylphényl)-6-méthyl-4-quinoléinecarboxylique [French] [ACD/IUPAC Name]
2-(4-BUTYLPHENYL)-6-METHYLQUINOLINE-4-CARBOXYLICACID
VS-14152

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

MFCD03420006 [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: 501.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.2±3.0 kJ/mol
    Flash Point: 257.4±30.1 °C
    Index of Refraction: 1.621
    Molar Refractivity: 97.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 6.51
    ACD/LogD (pH 5.5): 3.35
    ACD/BCF (pH 5.5): 50.69
    ACD/KOC (pH 5.5): 110.25
    ACD/LogD (pH 7.4): 2.75
    ACD/BCF (pH 7.4): 12.82
    ACD/KOC (pH 7.4): 27.89
    Polar Surface Area: 50 Å2
    Polarizability: 38.6±0.5 10-24cm3
    Surface Tension: 49.7±3.0 dyne/cm
    Molar Volume: 276.7±3.0 cm3

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