ChemSpider 2D Image | Ethyl 3-(8-sec-butyl-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate | C18H25N5O4

Ethyl 3-(8-sec-butyl-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate

  • Molecular FormulaC18H25N5O4
  • Average mass375.422 Da
  • Monoisotopic mass375.190643 Da
  • ChemSpider ID17919546

More details:

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

3-(8-sec-Butyl-1,7-diméthyl-2,4-dioxo-1,2,4,8-tétrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate d'éthyle [French] [ACD/IUPAC Name]
3H-Imidazo[2,1-f]purine-3-propanoic acid, 1,2,4,8-tetrahydro-1,7-dimethyl-8-(1-methylpropyl)-2,4-dioxo-, ethyl ester [ACD/Index Name]
Ethyl 3-(8-sec-butyl-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate [ACD/IUPAC Name]
Ethyl-3-(8-sec-butyl-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoat [German] [ACD/IUPAC Name]
915884-85-4 [RN]
ethyl 3-(8-(sec-butyl)-1,7-dimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)propanoate
ethyl 3-[8-(butan-2-yl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-3-yl]propanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.23
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 10.24
ACD/KOC (pH 7.4): 97.10
Polar Surface Area: 89 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 278.6±7.0 cm3

Click to predict properties on the Chemicalize site


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