ChemSpider 2D Image | 8-[(2E)-2-(2-Chlorobenzylidene)hydrazino]-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C21H18ClFN6O2

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

  • Molecular FormulaC21H18ClFN6O2
  • Average mass440.858 Da
  • Monoisotopic mass440.116394 Da
  • ChemSpider ID30790434

  • 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-(4-fluorbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(2E)-2-(2-Chlorobenzylidene)hydrazino]-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(2E)-2-(2-Chlorobenzylidène)hydrazino]-7-(4-fluorobenzyl)-1,3-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
Benzaldehyde, 2-chloro-, 1-[2-[7-[(4-fluorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]hydrazone] [ACD/Index Name]
2-chlorobenzaldehyde [7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
682775-79-7 [RN]
8-[(E)-2-[(2-chlorophenyl)methylidene]hydrazin-1-yl]-7-[(4-fluorophenyl)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: 1.4±0.1 g/cm3
Boiling Point: 650.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.3±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2278.27
ACD/KOC (pH 5.5): 8809.87
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2277.72
ACD/KOC (pH 7.4): 8807.72
Polar Surface Area: 83 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 307.9±7.0 cm3

Click to predict properties on the Chemicalize site


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