ChemSpider 2D Image | 8-[(2E)-2-(2-Chlorobenzylidene)hydrazino]-7-(2,5-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C23H23ClN6O2

8-[(2E)-2-(2-Chlorobenzylidene)hydrazino]-7-(2,5-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC23H23ClN6O2
  • Average mass450.921 Da
  • Monoisotopic mass450.157104 Da
  • ChemSpider ID30790432

  • Double-bond stereo - Double-bond stereo

More details:

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

8-[(2E)-2-(2-Chlorbenzyliden)hydrazino]-7-(2,5-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(2E)-2-(2-Chlorobenzylidene)hydrazino]-7-(2,5-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(2E)-2-(2-Chlorobenzylidène)hydrazino]-7-(2,5-diméthylbenzyl)-1,3-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
Benzaldehyde, 2-chloro-, 1-[2-[7-[(2,5-dimethylphenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]hydrazone] [ACD/Index Name]
1799261-39-4 [RN]
2-chlorobenzaldehyde [7-(2,5-dimethylbenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
8-[(E)-2-[(2-chlorophenyl)methylidene]hydrazin-1-yl]-7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 663.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.0±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 124.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7789.67
ACD/KOC (pH 5.5): 21239.21
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7787.93
ACD/KOC (pH 7.4): 21234.46
Polar Surface Area: 83 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 335.4±7.0 cm3

Click to predict properties on the Chemicalize site


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