ChemSpider 2D Image | 1,3-Dimethyltetrahydro-1H-purine-2,6,8(3H)-trione | C7H10N4O3

1,3-Dimethyltetrahydro-1H-purine-2,6,8(3H)-trione

  • Molecular FormulaC7H10N4O3
  • Average mass198.179 Da
  • Monoisotopic mass198.075287 Da
  • ChemSpider ID21408991

More details:

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

1,3-Dimethyltetrahydro-1H-purin-2,6,8(3H)-trion [German] [ACD/IUPAC Name]
1,3-Dimethyltetrahydro-1H-purine-2,6,8(3H)-trione [ACD/IUPAC Name]
1,3-Diméthyltétrahydro-1H-purine-2,6,8(3H)-trione [French] [ACD/IUPAC Name]
127091-92-3 [RN]
1H-Purine-2,6,8(3H)-trione, tetrahydro-1,3-dimethyl- [ACD/Index Name]
MFCD28142695

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 44.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -3.09
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.55
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.55
Polar Surface Area: 82 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 144.4±3.0 cm3

Click to predict properties on the Chemicalize site


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