ChemSpider 2D Image | Ethyl [1,3-dioxo-6-(1-piperidinyl)-1H-benzo[de]isoquinolin-2(3H)-yl]acetate | C21H22N2O4

Ethyl [1,3-dioxo-6-(1-piperidinyl)-1H-benzo[de]isoquinolin-2(3H)-yl]acetate

  • Molecular FormulaC21H22N2O4
  • Average mass366.410 Da
  • Monoisotopic mass366.157959 Da
  • ChemSpider ID30656798

More details:

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

[1,3-Dioxo-6-(1-pipéridinyl)-1H-benzo[de]isoquinoléin-2(3H)-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Benz[de]isoquinoline-2(3H)-acetic acid, 1,3-dioxo-6-(1-piperidinyl)-, ethyl ester [ACD/Index Name]
Ethyl [1,3-dioxo-6-(1-piperidinyl)-1H-benzo[de]isoquinolin-2(3H)-yl]acetate [ACD/IUPAC Name]
Ethyl-[1,3-dioxo-6-(1-piperidinyl)-1H-benzo[de]isochinolin-2(3H)-yl]acetat [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: 568.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.3±25.9 °C
Index of Refraction: 1.630
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.31
ACD/KOC (pH 5.5): 801.30
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.11
ACD/KOC (pH 7.4): 809.31
Polar Surface Area: 67 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 283.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement