ChemSpider 2D Image | Ethyl 4-{3-[2-hydroxy-3-(4-morpholinyl)propoxy]benzyl}-1-piperazinecarboxylate | C21H33N3O5

Ethyl 4-{3-[2-hydroxy-3-(4-morpholinyl)propoxy]benzyl}-1-piperazinecarboxylate

  • Molecular FormulaC21H33N3O5
  • Average mass407.504 Da
  • Monoisotopic mass407.242035 Da
  • ChemSpider ID22227696

More details:

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

1-Piperazinecarboxylic acid, 4-[[3-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]methyl]-, ethyl ester [ACD/Index Name]
4-{3-[2-Hydroxy-3-(4-morpholinyl)propoxy]benzyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{3-[2-hydroxy-3-(4-morpholinyl)propoxy]benzyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-[2-hydroxy-3-(4-morpholinyl)propoxy]benzyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-({3-[2-HYDROXY-3-(MORPHOLIN-4-YL)PROPOXY]PHENYL}METHYL)PIPERAZINE-1-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 300.4±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 109.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 3.96
ACD/KOC (pH 7.4): 89.50
Polar Surface Area: 75 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 340.5±3.0 cm3

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