ChemSpider 2D Image | Methyl 4-(2-hydroxy-3-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}propoxy)benzoate | C21H31N3O5

Methyl 4-(2-hydroxy-3-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}propoxy)benzoate

  • Molecular FormulaC21H31N3O5
  • Average mass405.488 Da
  • Monoisotopic mass405.226379 Da
  • ChemSpider ID27322069

More details:






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

4-(2-Hydroxy-3-{4-[2-oxo-2-(1-pyrrolidinyl)éthyl]-1-pipérazinyl}propoxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-hydroxy-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]propoxy]-, methyl ester [ACD/Index Name]
Methyl 4-(2-hydroxy-3-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}propoxy)benzoate [ACD/IUPAC Name]
Methyl-4-(2-hydroxy-3-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl}propoxy)benzoat [German] [ACD/IUPAC Name]
1324081-60-8 [RN]
C21H31N3O5
methyl 4-(2-hydroxy-3-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)propoxy)benzoate
methyl 4-(2-hydroxy-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propoxy)benzoate
methyl 4-[2-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propoxy]benzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 318.8±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.71
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.47
ACD/KOC (pH 7.4): 114.50
Polar Surface Area: 83 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 333.9±3.0 cm3

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