ChemSpider 2D Image | Methyl 1-({[(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]oxy}acetyl)-4-piperidinecarboxylate | C18H20ClNO7

Methyl 1-({[(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]oxy}acetyl)-4-piperidinecarboxylate

  • Molecular FormulaC18H20ClNO7
  • Average mass397.807 Da
  • Monoisotopic mass397.092834 Da
  • ChemSpider ID32934864

More details:

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

1-(2-{[(8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]oxy}acétyl)-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[[(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]oxy]acetyl]-, methyl ester [ACD/Index Name]
Methyl 1-({[(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]oxy}acetyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-({[(8-chlor-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]oxy}acetyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 584.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.2±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 93.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.40
ACD/KOC (pH 5.5): 517.30
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.40
ACD/KOC (pH 7.4): 517.30
Polar Surface Area: 91 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 289.5±3.0 cm3

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