ChemSpider 2D Image | tert-Butyl 3a,4,7,7a-tetrahydro-1H-isoindole-2(3H)-carboxylate | C13H21NO2

tert-Butyl 3a,4,7,7a-tetrahydro-1H-isoindole-2(3H)-carboxylate

  • Molecular FormulaC13H21NO2
  • Average mass223.311 Da
  • Monoisotopic mass223.157227 Da
  • ChemSpider ID26457417

More details:

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

1,3,3a,4,7,7a-Hexahydro-2H-isoindole-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1241675-29-5 [RN]
2H-Isoindole-2-carboxylic acid, 1,3,3a,4,7,7a-hexahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 1,3,3a,4,7,7a-hexahydro-2H-isoindole-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-carboxylat [German] [ACD/IUPAC Name]
tert-Butyl 3a,4,7,7a-tetrahydro-1H-isoindole-2(3H)-carboxylate
[1241675-29-5] [RN]
1,3,3a,4,7,7a-Hexahydro-isoindole-2-carboxylic acid tert-butyl ester
474925-37-6 [RN]
MFCD18064569 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 298.6±29.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.9±3.0 kJ/mol
    Flash Point: 134.4±24.3 °C
    Index of Refraction: 1.505
    Molar Refractivity: 62.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): 3.12
    ACD/BCF (pH 5.5): 138.48
    ACD/KOC (pH 5.5): 1186.89
    ACD/LogD (pH 7.4): 3.12
    ACD/BCF (pH 7.4): 138.48
    ACD/KOC (pH 7.4): 1186.89
    Polar Surface Area: 30 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 37.0±3.0 dyne/cm
    Molar Volume: 212.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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