ChemSpider 2D Image | Methyl 3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoate | C11H14N4O4

Methyl 3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoate

  • Molecular FormulaC11H14N4O4
  • Average mass266.253 Da
  • Monoisotopic mass266.101501 Da
  • ChemSpider ID21686417

More details:






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

3-(1,3-Diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
7H-Purine-7-propanoic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, methyl ester [ACD/Index Name]
Methyl 3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoat [German] [ACD/IUPAC Name]
331972-26-0 [RN]
C11H14N4O4
methyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propanoate
methyl 3-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate
methyl 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate
MFCD01417777 [MDL number]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 488.6±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.3±30.4 °C
Index of Refraction: 1.635
Molar Refractivity: 66.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.71
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 42.71
Polar Surface Area: 85 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 185.6±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement