ChemSpider 2D Image | Methyl 4-(4-benzyl-1-piperazinyl)-3-fluorobenzoate | C19H21FN2O2

Methyl 4-(4-benzyl-1-piperazinyl)-3-fluorobenzoate

  • Molecular FormulaC19H21FN2O2
  • Average mass328.381 Da
  • Monoisotopic mass328.158691 Da
  • ChemSpider ID26403901

More details:






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

4-(4-Benzyl-1-pipérazinyl)-3-fluorobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-4-[4-(phenylmethyl)-1-piperazinyl]-, methyl ester [ACD/Index Name]
Methyl 4-(4-benzyl-1-piperazinyl)-3-fluorobenzoate [ACD/IUPAC Name]
Methyl-4-(4-benzyl-1-piperazinyl)-3-fluorbenzoat [German] [ACD/IUPAC Name]
[1346597-56-5] [RN]
1346597-56-5 [RN]
6146-52-7 [RN]
Methyl 4-(4-benzylpiperazin-1-yl)-3-fluorobenzoate
MFCD20134208 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 458.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 230.9±28.7 °C
Index of Refraction: 1.580
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 78.43
ACD/KOC (pH 5.5): 559.96
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 255.74
ACD/KOC (pH 7.4): 1825.96
Polar Surface Area: 33 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 273.2±3.0 cm3

Click to predict properties on the Chemicalize site






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