ChemSpider 2D Image | Ethyl 4-(8-chloro-3-hydroxy-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate | C22H23ClN2O3

Ethyl 4-(8-chloro-3-hydroxy-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 ID23976480

More details:

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

1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-3-hydroxy-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester [ACD/Index Name]
4-(8-Chloro-3-hydroxy-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-3-hydroxy-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(8-chlor-3-hydroxy-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yliden)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
1189452-79-6 [RN]
183483-15-0 [RN]
3-Hydroxy Loratadine
3-Hydroxy Loratadine-D4
4-(8-Chloro-5,6-dihydro-3-hydroxy-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester
4-(8-CHLORO-5,6-DIHYDRO-3-HYDROXY-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YLIDENE)-1-PIPERIDINECARBOXYLICACIDETHYLESTER
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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: 626.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 332.8±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4357.93
ACD/KOC (pH 5.5): 13888.42
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4380.05
ACD/KOC (pH 7.4): 13958.93
Polar Surface Area: 63 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 302.0±3.0 cm3

Click to predict properties on the Chemicalize site


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