ChemSpider 2D Image | Methyl N-{[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]carbonyl}valinate | C20H27N3O6

Methyl N-{[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]carbonyl}valinate

  • Molecular FormulaC20H27N3O6
  • Average mass405.445 Da
  • Monoisotopic mass405.189972 Da
  • ChemSpider ID68086438

More details:

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

Methyl N-{[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]carbonyl}valinate [ACD/IUPAC Name]
Methyl-N-{[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-piperazinyl]carbonyl}valinat [German] [ACD/IUPAC Name]
N-{[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-1-pipérazinyl]carbonyl}valinate de méthyle [French] [ACD/IUPAC Name]
Valine, N-[[4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-1-piperazinyl]carbonyl]-, methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 636.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.5±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.29
ACD/KOC (pH 5.5): 144.24
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.29
ACD/KOC (pH 7.4): 144.22
Polar Surface Area: 97 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 321.1±3.0 cm3

Click to predict properties on the Chemicalize site


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