ChemSpider 2D Image | 8-[2-(3,4-Dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione | C22H28N4O4

8-[2-(3,4-Dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC22H28N4O4
  • Average mass412.482 Da
  • Monoisotopic mass412.211060 Da
  • ChemSpider ID24818008

More details:

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

1H-Purine-2,6-dione, 8-[2-(3,4-dimethoxyphenyl)ethenyl]-3,7-dihydro-7-methyl-1,3-dipropyl- [ACD/Index Name]
8-[2-(3,4-Dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[2-(3,4-Dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[2-(3,4-Diméthoxyphényl)vinyl]-7-méthyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.3±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 114.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 228.63
ACD/KOC (pH 5.5): 1699.31
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.63
ACD/KOC (pH 7.4): 1699.32
Polar Surface Area: 77 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 341.3±7.0 cm3

Click to predict properties on the Chemicalize site


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