ChemSpider 2D Image | Ethyl 4-[N-(4-methyl-3,5-dinitrobenzoyl)glycyl]-1-piperazinecarboxylate | C17H21N5O8

Ethyl 4-[N-(4-methyl-3,5-dinitrobenzoyl)glycyl]-1-piperazinecarboxylate

  • Molecular FormulaC17H21N5O8
  • Average mass423.377 Da
  • Monoisotopic mass423.139008 Da
  • ChemSpider ID118275880

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[(4-methyl-3,5-dinitrobenzoyl)amino]acetyl]-, ethyl ester [ACD/Index Name]
4-[N-(4-Méthyl-3,5-dinitrobenzoyl)glycyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[N-(4-methyl-3,5-dinitrobenzoyl)glycyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[N-(4-methyl-3,5-dinitrobenzoyl)glycyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 600.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.2±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.45
ACD/KOC (pH 5.5): 101.25
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.45
ACD/KOC (pH 7.4): 101.25
Polar Surface Area: 171 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 298.6±3.0 cm3

Click to predict properties on the Chemicalize site


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