ChemSpider 2D Image | 4,4'-[(4-Methyl-1,3-phenylene)bis(iminomethylylidene)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one] | C31H30N6O2

4,4'-[(4-Methyl-1,3-phenylene)bis(iminomethylylidene)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one]

  • Molecular FormulaC31H30N6O2
  • Average mass518.609 Da
  • Monoisotopic mass518.243042 Da
  • ChemSpider ID4448385

More details:

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

3H-Pyrazol-3-one, 4,4'-[(4-methyl-1,3-phenylene)bis(iminomethylidyne)]bis[2,4-dihydro-5-methyl-2-(4-methylphenyl)- [ACD/Index Name]
4,4'-[(4-Methyl-1,3-phenylen)bis(iminomethylyliden)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-on] [German] [ACD/IUPAC Name]
4,4'-[(4-Methyl-1,3-phenylene)bis(iminomethylylidene)]bis[5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one] [ACD/IUPAC Name]
4,4'-[(4-Méthyl-1,3-phénylène)bis(iminométhylylidène)]bis[5-méthyl-2-(4-méthylphényl)-2,4-dihydro-3H-pyrazol-3-one] [French] [ACD/IUPAC Name]

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

A0822/0038529 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 641.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 342.0±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 153.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 8.89
ACD/KOC (pH 5.5): 47.43
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 588.34
ACD/KOC (pH 7.4): 3139.70
Polar Surface Area: 89 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 418.9±7.0 cm3

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