ChemSpider 2D Image | 2-Methyl-2-propanyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate | C12H19NO3

2-Methyl-2-propanyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID28290237

More details:






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

2-Methyl-2-propanyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-8-oxo-3-azabicyclo[3.2.1]octan-3-carboxylat [German] [ACD/IUPAC Name]
3-Azabicyclo[3.2.1]octane-3-carboxylic acid, 8-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
8-Oxo-3-azabicyclo[3.2.1]octane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
[637301-19-0]
3-Boc-3-azabicyclo[3.2.1]octan-8-one
3-Boc-8-oxo-3-azabicyclo[3.2.1]octane
637301-19-0 [RN]
'637301-19-0
8-Oxo-3-aza-bicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-29004]
    • Safety:

      20/21/22 Novochemy [NC-29004]
      20/21/36/37/39 Novochemy [NC-29004]
      GHS07; GHS09 Novochemy [NC-29004]
      H332; H403 Novochemy [NC-29004]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-29004]
      R52/53 Novochemy [NC-29004]
      Warning Novochemy [NC-29004]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 325.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 150.8±25.9 °C
Index of Refraction: 1.507
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.33
ACD/KOC (pH 5.5): 99.30
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.33
ACD/KOC (pH 7.4): 99.30
Polar Surface Area: 47 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 197.7±3.0 cm3

Click to predict properties on the Chemicalize site






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