ChemSpider 2D Image | 1-[(4-Cyanophenyl)amino]-1-oxo-2-propanyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate | C29H19N3O5

1-[(4-Cyanophenyl)amino]-1-oxo-2-propanyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate

  • Molecular FormulaC29H19N3O5
  • Average mass489.478 Da
  • Monoisotopic mass489.132477 Da
  • ChemSpider ID21989321

More details:

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

1-[(4-Cyanophenyl)amino]-1-oxo-2-propanyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate [ACD/IUPAC Name]
1-[(4-Cyanphenyl)amino]-1-oxo-2-propanyl-4-(1,3-dioxo-1H-benzo[de]isochinolin-2(3H)-yl)benzoat [German] [ACD/IUPAC Name]
4-(1,3-Dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)benzoate de 1-[(4-cyanophényl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)-, 2-[(4-cyanophenyl)amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 814.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 446.4±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1043.16
ACD/KOC (pH 5.5): 5036.57
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1043.13
ACD/KOC (pH 7.4): 5036.42
Polar Surface Area: 117 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 337.9±5.0 cm3

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