ChemSpider 2D Image | Ethyl 4-[8-chloro(2-~2~H)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-1-(2,2,6,6-~2~H_4_)piperidinecarboxylate | C22H18D5ClN2O2

Ethyl 4-[8-chloro(2-2H)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-1-(2,2,6,6-2H4)piperidinecarboxylate

  • Molecular FormulaC22H18D5ClN2O2
  • Average mass387.914 Da
  • Monoisotopic mass387.176178 Da
  • ChemSpider ID48062580

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Piperidine-2,2,6,6-d4-carboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-2-d)-, ethyl ester [ACD/Index Name]
4-[8-Chloro(2-2H)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidène]-1-(2,2,6,6-2H4)pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[8-chloro(2-2H)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-1-(2,2,6,6-2H4)piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[8-chlor(2-2H)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yliden]-1-(2,2,6,6-2H4)piperidincarboxylat [German] [ACD/IUPAC Name]
1794752-42-3 [RN]
ethyl 4-(8-chloro-2-deuterio-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)-2,2,6,6-tetradeuteriopiperidine-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.1±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6192.35
ACD/KOC (pH 5.5): 17779.65
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6490.43
ACD/KOC (pH 7.4): 18635.49
Polar Surface Area: 42 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 303.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement