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

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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