ChemSpider 2D Image | 8-Bromo-1,3,7-trimethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione | C8H11BrN4O2

8-Bromo-1,3,7-trimethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione

  • Molecular FormulaC8H11BrN4O2
  • Average mass275.103 Da
  • Monoisotopic mass274.006531 Da
  • ChemSpider ID31097591

More details:

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

1H-Purine-2,6-dione, 8-bromo-3,4,5,7-tetrahydro-1,3,7-trimethyl- [ACD/Index Name]
8-Brom-1,3,7-trimethyl-3,4,5,7-tetrahydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-Bromo-1,3,7-trimethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-Bromo-1,3,7-triméthyl-3,4,5,7-tétrahydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
8-Bromo-1,3,7-trimethyl-3,4,5,7-tetrahydro-purine-2,6-dione

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

Density: 1.9±0.1 g/cm3
Boiling Point: 351.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.6±3.0 kJ/mol
Flash Point: 166.5±30.7 °C
Index of Refraction: 1.724
Molar Refractivity: 57.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.11
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.41
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.40
Polar Surface Area: 56 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 146.0±7.0 cm3

Click to predict properties on the Chemicalize site


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