ChemSpider 2D Image | MFCD01944612 | C31H31N3O4

MFCD01944612

  • Molecular FormulaC31H31N3O4
  • Average mass509.595 Da
  • Monoisotopic mass509.231445 Da
  • ChemSpider ID3861726

More details:

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

2,6-Diméthyl-4-[3-(4-méthylphényl)-1-phényl-1H-pyrazol-4-yl]-1,4-dihydro-3,5-pyridinedicarboxylate de diallyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-, di-2-propen-1-yl ester [ACD/Index Name]
Diallyl 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Diallyl 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Diallyl-2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
MFCD01944612
3,5-bis(prop-2-en-1-yl) 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
312314-56-0 [RN]
bis(prop-2-enyl) 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
diprop-2-en-1-yl 2,6-dimethyl-4-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 648.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.6±3.0 kJ/mol
    Flash Point: 346.0±31.5 °C
    Index of Refraction: 1.591
    Molar Refractivity: 148.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 7.41
    ACD/LogD (pH 5.5): 6.39
    ACD/BCF (pH 5.5): 42551.68
    ACD/KOC (pH 5.5): 71567.89
    ACD/LogD (pH 7.4): 6.39
    ACD/BCF (pH 7.4): 42634.60
    ACD/KOC (pH 7.4): 71707.34
    Polar Surface Area: 82 Å2
    Polarizability: 59.0±0.5 10-24cm3
    Surface Tension: 41.6±7.0 dyne/cm
    Molar Volume: 440.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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