ChemSpider 2D Image | Methyl 4-[(2,2,3,3,5,5,6,6-~2~H_8_)-1-piperazinyl]benzoate | C12H8D8N2O2

Methyl 4-[(2,2,3,3,5,5,6,6-2H8)-1-piperazinyl]benzoate

  • Molecular FormulaC12H8D8N2O2
  • Average mass228.317 Da
  • Monoisotopic mass228.171387 Da
  • ChemSpider ID111330021

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[(2,2,3,3,5,5,6,6-2H8)-1-Pipérazinyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(1-piperazinyl-2,2,3,3,5,5,6,6-d8)-, methyl ester [ACD/Index Name]
Methyl 4-[(2,2,3,3,5,5,6,6-2H8)-1-piperazinyl]benzoate [ACD/IUPAC Name]
Methyl-4-[(2,2,3,3,5,5,6,6-2H8)-1-piperazinyl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 377.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 181.8±23.7 °C
Index of Refraction: 1.542
Molar Refractivity: 61.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.07
Polar Surface Area: 42 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 195.6±3.0 cm3

Click to predict properties on the Chemicalize site


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