ChemSpider 2D Image | 1-(~2~H_2_)Methyl-3-(~2~H_3_)methyl(8-~2~H)-3,5-dihydro-1H-purine-2,6-dione | C7H2D6N4O2

1-(2H2)Methyl-3-(2H3)methyl(8-2H)-3,5-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC7H2D6N4O2
  • Average mass186.201 Da
  • Monoisotopic mass186.102386 Da
  • ChemSpider ID111274553

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2H2)Methyl-3-(2H3)methyl(8-2H)-3,5-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-(2H2)Methyl-3-(2H3)methyl(8-2H)-3,5-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-(2H2)Méthyl-3-(2H3)méthyl(8-2H)-3,5-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione-8-d, 3,5-dihydro-1-(methyl-d2)-3-(methyl-d3)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 271.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 118.3±22.6 °C
Index of Refraction: 1.737
Molar Refractivity: 45.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.69
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.92
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.92
Polar Surface Area: 65 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 112.1±7.0 cm3

Click to predict properties on the Chemicalize site


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