ChemSpider 2D Image | 8-[(2E)-2-(4-Chlorobenzylidene)hydrazino]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione | C23H23ClN6O2

8-[(2E)-2-(4-Chlorobenzylidene)hydrazino]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC23H23ClN6O2
  • Average mass450.921 Da
  • Monoisotopic mass450.157104 Da
  • ChemSpider ID30790381

  • Double-bond stereo - Double-bond stereo

More details:

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

8-[(2E)-2-(4-Chlorbenzyliden)hydrazino]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(2E)-2-(4-Chlorobenzylidene)hydrazino]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(2E)-2-(4-Chlorobenzylidène)hydrazino]-1,3-diméthyl-7-(3-phénylpropyl)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
Benzaldehyde, 4-chloro-, 1-[2-[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)-1H-purin-8-yl]hydrazone] [ACD/Index Name]
4-chlorobenzaldehyde [1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 347.1±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2316.87
ACD/KOC (pH 5.5): 8916.44
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2316.53
ACD/KOC (pH 7.4): 8915.12
Polar Surface Area: 83 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 337.1±7.0 cm3

Click to predict properties on the Chemicalize site


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