ChemSpider 2D Image | 8-(2-Bromoethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione | C10H13BrN4O2

8-(2-Bromoethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC10H13BrN4O2
  • Average mass301.140 Da
  • Monoisotopic mass300.022186 Da
  • ChemSpider ID67382673

More details:

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

1H-Purine-2,6-dione, 8-(2-bromoethyl)-3,7-dihydro-1,3,7-trimethyl- [ACD/Index Name]
8-(2-Bromethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-(2-Bromoethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-(2-Bromoéthyl)-1,3,7-triméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 468.2±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 237.0±30.4 °C
Index of Refraction: 1.677
Molar Refractivity: 67.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.04
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.47
ACD/KOC (pH 5.5): 174.03
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.47
ACD/KOC (pH 7.4): 174.03
Polar Surface Area: 58 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 178.2±7.0 cm3

Click to predict properties on the Chemicalize site


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