ChemSpider 2D Image | 1,1'-[1,3-Phenylenebis(1,3-oxazole-5,2-diyl-4,1-phenylenemethylene)]bis(4-methylpiperazine) | C36H40N6O2

1,1'-[1,3-Phenylenebis(1,3-oxazole-5,2-diyl-4,1-phenylenemethylene)]bis(4-methylpiperazine)

  • Molecular FormulaC36H40N6O2
  • Average mass588.742 Da
  • Monoisotopic mass588.321289 Da
  • ChemSpider ID28513077

More details:

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

1,1'-[1,3-Phenylenbis(1,3-oxazol-5,2-diyl-4,1-phenylenmethylen)]bis(4-methylpiperazin) [German] [ACD/IUPAC Name]
1,1'-[1,3-Phenylenebis(1,3-oxazole-5,2-diyl-4,1-phenylenemethylene)]bis(4-methylpiperazine) [ACD/IUPAC Name]
1,1'-[1,3-Phénylènebis(1,3-oxazole-5,2-diyl-4,1-phénylèneméthylène)]bis(4-méthylpipérazine) [French] [ACD/IUPAC Name]
Piperazine, 1,1'-[1,3-phenylenebis(5,2-oxazolediyl-4,1-phenylenemethylene)]bis[4-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 738.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.2±35.7 °C
Index of Refraction: 1.607
Molar Refractivity: 171.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.71
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 70.89
ACD/KOC (pH 7.4): 437.18
Polar Surface Area: 65 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 497.5±3.0 cm3

Click to predict properties on the Chemicalize site


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