ChemSpider 2D Image | 1-(~2~H_3_)Methyl-4-{(~2~H_3_)methyl[(~2~H_3_)methylcarbamoyl]amino}-1H-imidazole-5-carboxylic acid | C8H3D9N4O3

1-(2H3)Methyl-4-{(2H3)methyl[(2H3)methylcarbamoyl]amino}-1H-imidazole-5-carboxylic acid

  • Molecular FormulaC8H3D9N4O3
  • Average mass221.261 Da
  • Monoisotopic mass221.147430 Da
  • ChemSpider ID58779275
  • Non-standard isotope - Non-standard isotope


More details:






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

1-(2H3)Methyl-4-{(2H3)methyl[(2H3)methylcarbamoyl]amino}-1H-imidazol-5-carbonsäure [German] [ACD/IUPAC Name]
1-(2H3)Methyl-4-{(2H3)methyl[(2H3)methylcarbamoyl]amino}-1H-imidazole-5-carboxylic acid [ACD/IUPAC Name]
1H-Imidazole-5-carboxylic acid, 1-(methyl-d3)-4-[methyl-d3[(methyl-d3-amino)carbonyl]amino]- [ACD/Index Name]
Acide 1-(2H3)méthyl-4-{(2H3)méthyl[(2H3)méthylcarbamoyl]amino}-1H-imidazole-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 559.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.4±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 52.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 153.2±7.0 cm3

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