ChemSpider 2D Image | ethyl 2-[3-(morpholine-4-carbonyl)-4-nitropyrazol-1-yl]acetate | C12H16N4O6

ethyl 2-[3-(morpholine-4-carbonyl)-4-nitropyrazol-1-yl]acetate

  • Molecular FormulaC12H16N4O6
  • Average mass312.279 Da
  • Monoisotopic mass312.106995 Da
  • ChemSpider ID111855819

More details:

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

[3-(4-Morpholinylcarbonyl)-4-nitro-1H-pyrazol-1-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 3-(4-morpholinylcarbonyl)-4-nitro-, ethyl ester [ACD/Index Name]
2379944-71-3 [RN]
Ethyl [3-(4-morpholinylcarbonyl)-4-nitro-1H-pyrazol-1-yl]acetate [ACD/IUPAC Name]
ethyl 2-[3-(morpholine-4-carbonyl)-4-nitro-1H-pyrazol-1-yl]acetate
ethyl 2-[3-(morpholine-4-carbonyl)-4-nitropyrazol-1-yl]acetate
Ethyl-[3-(4-morpholinylcarbonyl)-4-nitro-1H-pyrazol-1-yl]acetat [German] [ACD/IUPAC Name]
ethyl [3-(morpholin-4-ylcarbonyl)-4-nitro-1H-pyrazol-1-yl]acetate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 532.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.9±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 73.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.69
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.35
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.35
Polar Surface Area: 119 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 207.2±7.0 cm3

Click to predict properties on the Chemicalize site


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