ChemSpider 2D Image | 2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)ethyl (3E)-3-(4-hydroxybenzylidene)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate | C32H34N2O4

2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)ethyl (3E)-3-(4-hydroxybenzylidene)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

  • Molecular FormulaC32H34N2O4
  • Average mass510.623 Da
  • Monoisotopic mass510.251862 Da
  • ChemSpider ID10850076
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E)-3-(4-Hydroxybenzylidène)-2,3-dihydro-1H-cyclopenta[b]quinoléine-9-carboxylate de 2-oxo-2-(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)éthyle [French] [ACD/IUPAC Name]
1H-Cyclopenta[b]quinoline-9-carboxylic acid, 2,3-dihydro-3-[(4-hydroxyphenyl)methylene]-, 2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)ethyl ester, (3E)- [ACD/Index Name]
2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)ethyl (3E)-3-(4-hydroxybenzylidene)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate [ACD/IUPAC Name]
2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)ethyl-(3E)-3-(4-hydroxybenzyliden)-2,3-dihydro-1H-cyclopenta[b]chinolin-9-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 722.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 390.5±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 69941.84
ACD/KOC (pH 5.5): 102166.01
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 69208.42
ACD/KOC (pH 7.4): 101094.68
Polar Surface Area: 80 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 403.4±3.0 cm3

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