ChemSpider 2D Image | tert-Butyl 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate | C13H21NO3

tert-Butyl 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate

  • Molecular FormulaC13H21NO3
  • Average mass239.311 Da
  • Monoisotopic mass239.152145 Da
  • ChemSpider ID23500435

More details:






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

2-Methyl-2-propanyl 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-7-oxo-3-azabicyclo[3.3.1]nonan-3-carboxylat [German] [ACD/IUPAC Name]
3-Azabicyclo[3.3.1]nonane-3-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
7-Oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
13388-51-7 [RN]
2-(tert-butoxycarbonylamino)-3-thiazol-4-yl-propanoic acid
3-Boc-7-oxo-3-azabicyclo[3.3.1]nonane
7-oxo-3-aza-bicyclo3.3.1nonane-3-carboxylic acid tert-butyl ester
850991-62-7 [RN]
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-15772] , [NC-40076]
    • Safety:

      20/21/22 Novochemy [NC-15772] , [NC-40076]
      20/21/36/37/39 Novochemy [NC-15772] , [NC-40076]
      GHS07; GHS09 Novochemy [NC-15772] , [NC-40076]
      H332; H403 Novochemy [NC-15772] , [NC-40076]
      P301+P310; P337+P313 Novochemy [NC-15772] , [NC-40076]
      Warning Novochemy [NC-15772] , [NC-40076]
      Xn Novochemy [NC-15772] , [NC-40076]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 342.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 161.2±25.9 °C
Index of Refraction: 1.501
Molar Refractivity: 63.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.49
ACD/KOC (pH 5.5): 291.66
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.49
ACD/KOC (pH 7.4): 291.66
Polar Surface Area: 47 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 215.4±3.0 cm3

Click to predict properties on the Chemicalize site






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