ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(iodomethyl)-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate | C12H18INO3

2-Methyl-2-propanyl 4-(iodomethyl)-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

  • Molecular FormulaC12H18INO3
  • Average mass351.181 Da
  • Monoisotopic mass351.033142 Da
  • ChemSpider ID61060583

More details:

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

2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 4-(iodomethyl)-5-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(iodomethyl)-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(iodmethyl)-5-oxo-2-azabicyclo[2.2.1]heptan-2-carboxylat [German] [ACD/IUPAC Name]
4-(Iodométhyl)-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1823443-93-1 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 390.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 189.8±23.7 °C
Index of Refraction: 1.584
Molar Refractivity: 71.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.86
ACD/KOC (pH 5.5): 295.62
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.86
ACD/KOC (pH 7.4): 295.62
Polar Surface Area: 47 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 214.6±3.0 cm3

Click to predict properties on the Chemicalize site


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