ChemSpider 2D Image | 4-Oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester | C12H19NO3

4-Oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID21108015

More details:






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

2-Methyl-2-propanyl 4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-oxohexahydrocyclopenta[c]pyrrol-2(1H)-carboxylat [German] [ACD/IUPAC Name]
4-Oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
4-Oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
4-Oxo-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
879686-42-7 [RN]
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
MFCD06658358 [MDL number]
(3aR,6aS)-tert-butyl 4-oxohexahydrocyclopenta[c]py
[879686-42-7]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

      Not Available Novochemy [NC-02807] , [NC-31694]
    • Safety:

      20/21/22 Novochemy [NC-02807] , [NC-31694]
      20/21/36/37/39 Novochemy [NC-02807] , [NC-31694]
      GHS07; GHS09 Novochemy [NC-02807] , [NC-31694]
      H304; H332; H403 Novochemy [NC-02807]
      H332; H403 Novochemy [NC-31694]
      Harmful/Irritant SynQuest 4H56-1-301
      IRRITANT Matrix Scientific 070559
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-02807] , [NC-31694]
      R22 Novochemy [NC-02807]
      TBC SynQuest 4H56-1-301
      Warning Novochemy [NC-02807] , [NC-31694]
      Xn Novochemy [NC-31694]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 325.8±25.0 °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±23.2 °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: 0.63
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.52
ACD/KOC (pH 5.5): 236.30
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.52
ACD/KOC (pH 7.4): 236.30
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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