ChemSpider 2D Image | 2-Methyl-2-propanyl 3-[(1-methyl-4-nitro-1H-imidazol-5-yl)carbamoyl]-1-pyrrolidinecarboxylate | C14H21N5O5

2-Methyl-2-propanyl 3-[(1-methyl-4-nitro-1H-imidazol-5-yl)carbamoyl]-1-pyrrolidinecarboxylate

  • Molecular FormulaC14H21N5O5
  • Average mass339.347 Da
  • Monoisotopic mass339.154266 Da
  • ChemSpider ID64969020

More details:

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

1-Pyrrolidinecarboxylic acid, 3-[[(1-methyl-4-nitro-1H-imidazol-5-yl)amino]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(1-methyl-4-nitro-1H-imidazol-5-yl)carbamoyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)carbamoyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-[(1-Méthyl-4-nitro-1H-imidazol-5-yl)carbamoyl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [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: 594.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.4±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 84.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.60
ACD/KOC (pH 5.5): 119.42
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.60
ACD/KOC (pH 7.4): 119.43
Polar Surface Area: 122 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 240.3±7.0 cm3

Click to predict properties on the Chemicalize site


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