ChemSpider 2D Image | Methyl N-{3-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]benzyl}-beta-alaninate | C20H33N3O4

Methyl N-{3-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]benzyl}-β-alaninate

  • Molecular FormulaC20H33N3O4
  • Average mass379.494 Da
  • Monoisotopic mass379.247101 Da
  • ChemSpider ID22210683

More details:

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

Methyl N-{3-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]benzyl}-β-alaninate [ACD/IUPAC Name]
Methyl-N-{3-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]benzyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{3-[3-(4-Éthyl-1-pipérazinyl)-2-hydroxypropoxy]benzyl}-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[3-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]phenyl]methyl]-, methyl ester [ACD/Index Name]
METHYL 3-[({3-[3-(4-ETHYLPIPERAZIN-1-YL)-2-HYDROXYPROPOXY]PHENYL}METHYL)AMINO]PROPANOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 519.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 268.3±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -2.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.69
Polar Surface Area: 74 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 341.1±3.0 cm3

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