ChemSpider 2D Image | 4-Methyl(3,5-~2~H_2_)-1H-pyrazole | C4H4D2N2

4-Methyl(3,5-2H2)-1H-pyrazole

  • Molecular FormulaC4H4D2N2
  • Average mass84.116 Da
  • Monoisotopic mass84.065651 Da
  • ChemSpider ID60498065

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrazole-3,5-d2, 4-methyl- [ACD/Index Name]
4-Methyl(3,5-2H2)-1H-pyrazol [German] [ACD/IUPAC Name]
4-Methyl(3,5-2H2)-1H-pyrazole [ACD/IUPAC Name]
4-Méthyl(3,5-2H2)-1H-pyrazole [French] [ACD/IUPAC Name]
4-Methyl-1H-pyrazole-3,5-d2
Fomepizole [INN] [USAN] [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 243.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.1±3.0 kJ/mol
Flash Point: 96.1±0.0 °C
Index of Refraction: 1.523
Molar Refractivity: 23.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 61.53
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.26
ACD/KOC (pH 7.4): 62.40
Polar Surface Area: 29 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 77.3±3.0 cm3

Click to predict properties on the Chemicalize site


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