ChemSpider 2D Image | 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(2-methyl-5-nitro-1H-imidazol-1-yl)propanoate | C13H16N6O6

2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(2-methyl-5-nitro-1H-imidazol-1-yl)propanoate

  • Molecular FormulaC13H16N6O6
  • Average mass352.303 Da
  • Monoisotopic mass352.113129 Da
  • ChemSpider ID24659163

More details:

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

1H-Imidazole-1-propanoic acid, 2-methyl-5-nitro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester [ACD/Index Name]
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(2-methyl-5-nitro-1H-imidazol-1-yl)propanoate [ACD/IUPAC Name]
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propanoat [German] [ACD/IUPAC Name]
3-(2-Méthyl-5-nitro-1H-imidazol-1-yl)propanoate de 2-(2-méthyl-5-nitro-1H-imidazol-1-yl)éthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 650.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 347.1±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 84.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 42.80
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 42.88
Polar Surface Area: 154 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 67.5±7.0 dyne/cm
Molar Volume: 228.6±7.0 cm3

Click to predict properties on the Chemicalize site


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