ChemSpider 2D Image | 7-Ethyl-3,9-dimethyl-1-(2-oxopropyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione | C14H18N6O3

7-Ethyl-3,9-dimethyl-1-(2-oxopropyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione

  • Molecular FormulaC14H18N6O3
  • Average mass318.331 Da
  • Monoisotopic mass318.144043 Da
  • ChemSpider ID17920245

More details:

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

[1,2,4]Triazino[3,4-f]purine-6,8(7H,9H)-dione, 7-ethyl-1,4-dihydro-3,9-dimethyl-1-(2-oxopropyl)- [ACD/Index Name]
7-Ethyl-3,9-dimethyl-1-(2-oxopropyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purin-6,8(7H,9H)-dion [German] [ACD/IUPAC Name]
7-Ethyl-3,9-dimethyl-1-(2-oxopropyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione [ACD/IUPAC Name]
7-Éthyl-3,9-diméthyl-1-(2-oxopropyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione [French] [ACD/IUPAC Name]
7-ethyl-3,9-dimethyl-1-(2-oxopropyl)-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione
7-ethyl-3,9-dimethyl-1-(2-oxopropyl)-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
919020-53-4 [RN]
CID 16805356

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

Density: 1.5±0.1 g/cm3
Boiling Point: 518.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.4±32.9 °C
Index of Refraction: 1.707
Molar Refractivity: 83.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 50.47
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 51.02
Polar Surface Area: 91 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 213.4±7.0 cm3

Click to predict properties on the Chemicalize site


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