ChemSpider 2D Image | 4-{Bis[(~2~H_3_)methyl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C13H11D6N3O

4-{Bis[(2H3)methyl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC13H11D6N3O
  • Average mass237.331 Da
  • Monoisotopic mass237.174820 Da
  • ChemSpider ID48059828

  • Non-standard isotope - Non-standard isotope

More details:

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

3H-Pyrazol-3-one, 4-(dimethyl-d3-amino)-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-{Bis[(2H3)methyl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-{Bis[(2H3)methyl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-{Bis[(2H3)méthyl]amino}-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
4-Dimethylamino Antipyrine-d6
91419-95-3 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 319.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.1±3.0 kJ/mol
    Flash Point: 125.9±21.1 °C
    Index of Refraction: 1.614
    Molar Refractivity: 68.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.76
    ACD/LogD (pH 5.5): 1.05
    ACD/BCF (pH 5.5): 3.59
    ACD/KOC (pH 5.5): 84.26
    ACD/LogD (pH 7.4): 1.10
    ACD/BCF (pH 7.4): 4.00
    ACD/KOC (pH 7.4): 93.83
    Polar Surface Area: 27 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 49.1±5.0 dyne/cm
    Molar Volume: 196.0±5.0 cm3

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