ChemSpider 2D Image | Ethyl 4-[2-hydroxy-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl]-1-piperazinecarboxylate | C14H23N5O5

Ethyl 4-[2-hydroxy-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl]-1-piperazinecarboxylate

  • Molecular FormulaC14H23N5O5
  • Average mass341.363 Da
  • Monoisotopic mass341.169922 Da
  • ChemSpider ID76810481

More details:

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

1-Piperazinecarboxylic acid, 4-[2-hydroxy-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl]-, ethyl ester [ACD/Index Name]
4-[2-Hydroxy-3-(2-méthyl-5-nitro-1H-imidazol-1-yl)propyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[2-hydroxy-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[2-hydroxy-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl]-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: 569.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.3±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 85.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.90
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 36.57
Polar Surface Area: 117 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 242.7±7.0 cm3

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