ChemSpider 2D Image | 7-(3-Chloro-2-buten-1-yl)-6-hydroxy-8-[2-(2-hydroxybenzylidene)hydrazino]-3-methyl-3,7-dihydro-2H-purin-2-one | C17H17ClN6O3

7-(3-Chloro-2-buten-1-yl)-6-hydroxy-8-[2-(2-hydroxybenzylidene)hydrazino]-3-methyl-3,7-dihydro-2H-purin-2-one

  • Molecular FormulaC17H17ClN6O3
  • Average mass388.808 Da
  • Monoisotopic mass388.105072 Da
  • ChemSpider ID35384069

More details:

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

7-(3-Chlor-2-buten-1-yl)-6-hydroxy-8-[2-(2-hydroxybenzyliden)hydrazino]-3-methyl-3,7-dihydro-2H-purin-2-on [German] [ACD/IUPAC Name]
7-(3-Chloro-2-buten-1-yl)-6-hydroxy-8-[2-(2-hydroxybenzylidene)hydrazino]-3-methyl-3,7-dihydro-2H-purin-2-one [ACD/IUPAC Name]
7-(3-Chloro-2-butén-1-yl)-6-hydroxy-8-[2-(2-hydroxybenzylidène)hydrazino]-3-méthyl-3,7-dihydro-2H-purin-2-one [French] [ACD/IUPAC Name]
Benzaldehyde, 2-hydroxy-, 1-[2-[7-(3-chloro-2-buten-1-yl)-3,7-dihydro-6-hydroxy-3-methyl-2-oxo-2H-purin-8-yl]hydrazone] [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 658.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 352.0±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 100.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.38
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 260.5±7.0 cm3

Click to predict properties on the Chemicalize site


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