ChemSpider 2D Image | Ethyl 4-[(5-methyl-4-nitro-1,2-oxazol-3-yl)carbonyl]-1-piperazinecarboxylate | C12H16N4O6

Ethyl 4-[(5-methyl-4-nitro-1,2-oxazol-3-yl)carbonyl]-1-piperazinecarboxylate

  • Molecular FormulaC12H16N4O6
  • Average mass312.279 Da
  • Monoisotopic mass312.106995 Da
  • ChemSpider ID21904165

More details:

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

1-Piperazinecarboxylic acid, 4-[(5-methyl-4-nitro-3-isoxazolyl)carbonyl]-, ethyl ester [ACD/Index Name]
4-[(5-Méthyl-4-nitro-1,2-oxazol-3-yl)carbonyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(5-methyl-4-nitro-1,2-oxazol-3-yl)carbonyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[(5-methyl-4-nitro-1,2-oxazol-3-yl)carbonyl]-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: 534.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.0±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.57
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.57
Polar Surface Area: 122 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 223.8±3.0 cm3

Click to predict properties on the Chemicalize site


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