ChemSpider 2D Image | 1-Methyl-3-nonyl-8-(4-phenoxyphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione | C29H35N5O3

1-Methyl-3-nonyl-8-(4-phenoxyphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione

  • Molecular FormulaC29H35N5O3
  • Average mass501.620 Da
  • Monoisotopic mass501.273987 Da
  • ChemSpider ID21036197

More details:

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

1H-Imidazo[2,1-f]purine-2,4(3H,6H)-dione, 7,8-dihydro-1-methyl-3-nonyl-8-(4-phenoxyphenyl)- [ACD/Index Name]
1-Methyl-3-nonyl-8-(4-phenoxyphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-2,4(3H,6H)-dion [German] [ACD/IUPAC Name]
1-Methyl-3-nonyl-8-(4-phenoxyphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione [ACD/IUPAC Name]
1-Méthyl-3-nonyl-8-(4-phénoxyphényl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-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: 669.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.6±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 145.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 7.43
ACD/BCF (pH 5.5): 255664.27
ACD/KOC (pH 5.5): 254435.75
ACD/LogD (pH 7.4): 7.45
ACD/BCF (pH 7.4): 269966.09
ACD/KOC (pH 7.4): 268668.88
Polar Surface Area: 71 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 403.4±7.0 cm3

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