ChemSpider 2D Image | Ethyl 4-(8-chloro-1-oxido-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate | C22H23ClN2O3

Ethyl 4-(8-chloro-1-oxido-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate

  • Molecular FormulaC22H23ClN2O3
  • Average mass398.883 Da
  • Monoisotopic mass398.139709 Da
  • ChemSpider ID22547117

More details:

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

1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-1-oxido-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester [ACD/Index Name]
4-(8-Chloro-1-oxydo-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidène)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(8-chloro-1-oxido-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(8-chlor-1-oxido-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yliden)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
165739-62-8 [RN]
1795033-49-6 [RN]
4-(8-Chloro-5,6-dihydro-1-oxido-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester
8-chloro-11-(1-(ethoxycarbonyl)piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine 1-oxide
ethyl 4-(8-chloro-1-oxido-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-1-ium-11-ylidene)piperidine-1-carboxylate
Ethyl 4-(8-chloro-1-oxo-5,6-dihydro-11H-1λ5-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 602.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.7±3.0 kJ/mol
    Flash Point: 318.3±31.5 °C
    Index of Refraction: 1.638
    Molar Refractivity: 109.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.88
    ACD/LogD (pH 5.5): 4.23
    ACD/BCF (pH 5.5): 963.83
    ACD/KOC (pH 5.5): 4759.33
    ACD/LogD (pH 7.4): 4.23
    ACD/BCF (pH 7.4): 963.85
    ACD/KOC (pH 7.4): 4759.42
    Polar Surface Area: 55 Å2
    Polarizability: 43.3±0.5 10-24cm3
    Surface Tension: 49.3±7.0 dyne/cm
    Molar Volume: 303.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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