ChemSpider 2D Image | 2-(tert-Butoxycarbonyl)-2-azaspiro[3.3]heptane-6-carboxylic acid | C12H19NO4

2-(tert-Butoxycarbonyl)-2-azaspiro[3.3]heptane-6-carboxylic acid

  • Molecular FormulaC12H19NO4
  • Average mass241.284 Da
  • Monoisotopic mass241.131409 Da
  • ChemSpider ID25069725

More details:

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

1211526-53-2 [RN]
2-(tert-Butoxycarbonyl)-2-azaspiro[3.3]heptane-6-carboxylic acid
2-[(tert-Butoxy)carbonyl]-2-azaspiro[3.3]heptane-6-carboxylic acid
2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-azaspiro[3.3]heptan-6-carbonsäure [German] [ACD/IUPAC Name]
2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-azaspiro[3.3]heptane-6-carboxylic acid [ACD/IUPAC Name]
2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) ester [ACD/Index Name]
Acide 2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-azaspiro[3.3]heptane-6-carboxylique [French] [ACD/IUPAC Name]
MFCD17016194 [MDL number]
[1211526-53-2] [RN]
121152-65-6 [RN]

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

  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-29178]
    • Safety:

      20/21/22 Novochemy [NC-29178]
      20/21/36/37/39 Novochemy [NC-29178]
      GHS07; GHS09 Novochemy [NC-29178]
      H304; H403 Novochemy [NC-29178]
      IRRITANT Matrix Scientific 070652
      P301+P310; P337+P313 Novochemy [NC-29178]
      R22 Novochemy [NC-29178]
      TBC SynQuest 4H58-1-Q6
      Warning Novochemy [NC-29178]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 377.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.6±6.0 kJ/mol
Flash Point: 182.1±27.9 °C
Index of Refraction: 1.536
Molar Refractivity: 60.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.51
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 195.2±5.0 cm3

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