ChemSpider 2D Image | Butyl 4-{[8-hydroxy-4-oxo-3-(1-pyrrolidinyl)-1(4H)-naphthalenylidene]amino}benzoate | C25H26N2O4

Butyl 4-{[8-hydroxy-4-oxo-3-(1-pyrrolidinyl)-1(4H)-naphthalenylidene]amino}benzoate

  • Molecular FormulaC25H26N2O4
  • Average mass418.485 Da
  • Monoisotopic mass418.189270 Da
  • ChemSpider ID35391666

More details:

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

4-{[8-Hydroxy-4-oxo-3-(1-pyrrolidinyl)-1(4H)-naphtalénylidène]amino}benzoate de butyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[8-hydroxy-4-oxo-3-(1-pyrrolidinyl)-1(4H)-naphthalenylidene]amino]-, butyl ester [ACD/Index Name]
Butyl 4-{[8-hydroxy-4-oxo-3-(1-pyrrolidinyl)-1(4H)-naphthalenylidene]amino}benzoate [ACD/IUPAC Name]
Butyl-4-{[8-hydroxy-4-oxo-3-(1-pyrrolidinyl)-1(4H)-naphthalinyliden]amino}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 578.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 303.8±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 118.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2332.65
ACD/KOC (pH 5.5): 8807.97
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 420.04
ACD/KOC (pH 7.4): 1586.05
Polar Surface Area: 79 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 333.7±7.0 cm3

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