ChemSpider 2D Image | Ethyl (8-bromo-1,3-dimethyl-2,6-dioxooctahydro-7H-purin-7-yl)acetate | C11H17BrN4O4

Ethyl (8-bromo-1,3-dimethyl-2,6-dioxooctahydro-7H-purin-7-yl)acetate

  • Molecular FormulaC11H17BrN4O4
  • Average mass349.181 Da
  • Monoisotopic mass348.043304 Da
  • ChemSpider ID110112168

More details:

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

(8-Bromo-1,3-diméthyl-2,6-dioxooctahydro-7H-purin-7-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
7H-Purine-7-acetic acid, 8-bromooctahydro-1,3-dimethyl-2,6-dioxo-, ethyl ester [ACD/Index Name]
Ethyl (8-bromo-1,3-dimethyl-2,6-dioxooctahydro-7H-purin-7-yl)acetate [ACD/IUPAC Name]
Ethyl-(8-brom-1,3-dimethyl-2,6-dioxooctahydro-7H-purin-7-yl)acetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 414.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 204.7±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.55
ACD/KOC (pH 5.5): 67.89
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 68.50
Polar Surface Area: 82 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 231.3±3.0 cm3

Click to predict properties on the Chemicalize site


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