ChemSpider 2D Image | Ethyl 4-[8-chloro-2-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-1-piperidinecarboxylate | C23H25ClN2O3

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

  • Molecular FormulaC23H25ClN2O3
  • Average mass412.909 Da
  • Monoisotopic mass412.155365 Da
  • ChemSpider ID21896763

More details:






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

1-Piperidinecarboxylic acid, 4-[8-chloro-5,6-dihydro-2-(hydroxymethyl)-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-, ethyl ester [ACD/Index Name]
4-[8-Chloro-2-(hydroxyméthyl)-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-2-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[8-chlor-2-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yliden]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
2-HYDROXY METHYL LORATADINE
2-Hydroxymethyl Loratadine
4-[8-Chloro-5,6-dihydro-2-(hydroxymethyl)-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-1-piperidinecarboxylic acid ethyl ester
609806-39-5 [RN]
Ethyl 4-[8-chloro-2-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]piperidine-1-carboxylate
ethyl 4-[8-chloro-2-(hydroxymethyl)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-c]pyridin-11-ylidene]piperidine-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 307.9±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 112.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1752.68
ACD/KOC (pH 5.5): 7257.41
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1790.35
ACD/KOC (pH 7.4): 7413.38
Polar Surface Area: 63 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 317.4±3.0 cm3

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