ChemSpider 2D Image | Methyl (4S)-4-(4-acetoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C20H21NO5

Methyl (4S)-4-(4-acetoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC20H21NO5
  • Average mass355.384 Da
  • Monoisotopic mass355.141968 Da
  • ChemSpider ID62675909

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-(4-Acétoxyphényl)-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 4-[4-(acetyloxy)phenyl]-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, methyl ester, (4S)- [ACD/Index Name]
Methyl (4S)-4-(4-acetoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Methyl-(4S)-4-(4-acetoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 522.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.9±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.42
ACD/KOC (pH 5.5): 738.85
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.42
ACD/KOC (pH 7.4): 738.89
Polar Surface Area: 82 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 278.5±5.0 cm3

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