ChemSpider 2D Image | tert-butyl octahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate | C12H22N2O2

tert-butyl octahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate

  • Molecular FormulaC12H22N2O2
  • Average mass226.315 Da
  • Monoisotopic mass226.168121 Da
  • ChemSpider ID13676276

More details:

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

1,1-Dimethylethyl octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate
1932275-31-4 [RN]
236406-56-7 [RN]
2H-Pyrrolo[3,4-c]pyridine-2-carboxylic acid, octahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-octahydro-2H-pyrrolo[3,4-c]pyridin-2-carboxylat [German] [ACD/IUPAC Name]
885270-57-5 [RN]
MFCD08234697 [MDL number]
Octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl hexahydro-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 313.8±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.5±3.0 kJ/mol
    Flash Point: 143.6±23.2 °C
    Index of Refraction: 1.489
    Molar Refractivity: 62.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.23
    ACD/LogD (pH 5.5): -1.52
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 42 Å2
    Polarizability: 24.6±0.5 10-24cm3
    Surface Tension: 35.3±3.0 dyne/cm
    Molar Volume: 215.0±3.0 cm3

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