ChemSpider 2D Image | 8-(4-Butyrylphenoxy)-7-(3,4-diethoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C28H32N4O6

8-(4-Butyrylphenoxy)-7-(3,4-diethoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC28H32N4O6
  • Average mass520.577 Da
  • Monoisotopic mass520.232178 Da
  • ChemSpider ID897333

More details:

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

1H-Purine-2,6-dione, 7-[(3,4-diethoxyphenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[4-(1-oxobutyl)phenoxy]- [ACD/Index Name]
8-(4-Butyrylphenoxy)-7-(3,4-diethoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-(4-Butyrylphenoxy)-7-(3,4-diethoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-(4-Butyrylphénoxy)-7-(3,4-diéthoxybenzyl)-1,3-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
7-[(3,4-diethoxyphenyl)methyl]-8-(4-butanoylphenoxy)-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione
8-(4-butanoylphenoxy)-7-(3,4-diethoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-Butyryl-phenoxy)-7-(3,4-diethoxy-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

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

A2923/0123064 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 706.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 381.0±35.7 °C
Index of Refraction: 1.605
Molar Refractivity: 142.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2078.41
ACD/KOC (pH 5.5): 8249.53
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2078.41
ACD/KOC (pH 7.4): 8249.53
Polar Surface Area: 103 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 412.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement