ChemSpider 2D Image | Ethyl (1,3-dimethyl-2,4-dioxo-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl)acetate | C13H17N5O4

Ethyl (1,3-dimethyl-2,4-dioxo-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl)acetate

  • Molecular FormulaC13H17N5O4
  • Average mass307.305 Da
  • Monoisotopic mass307.128052 Da
  • ChemSpider ID26035668

More details:






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

(1,3-Diméthyl-2,4-dioxo-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
8H-Imidazo[2,1-f]purine-8-acetic acid, 1,2,3,4,6,7-hexahydro-1,3-dimethyl-2,4-dioxo-, ethyl ester [ACD/Index Name]
Ethyl (1,3-dimethyl-2,4-dioxo-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl)acetate [ACD/IUPAC Name]
Ethyl-(1,3-dimethyl-2,4-dioxo-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl)acetat [German] [ACD/IUPAC Name]
1206987-95-2 [RN]
c13h17n5o4
ethyl 2-(1,3-dimethyl-2,4-dioxo-3,4,6,7-tetrahydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate
ethyl 2-(2,4-dimethyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)acetate
ethyl 2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl}acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 502.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.6±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 77.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.77
ACD/KOC (pH 5.5): 89.79
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.81
ACD/KOC (pH 7.4): 90.73
Polar Surface Area: 88 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 200.0±7.0 cm3

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