ChemSpider 2D Image | tert-butyl octahydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate | C12H22N2O2

tert-butyl octahydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate

  • Molecular FormulaC12H22N2O2
  • Average mass226.315 Da
  • Monoisotopic mass226.168121 Da
  • ChemSpider ID26908216

More details:

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

2-Methyl-2-propanyl octahydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-octahydro-6H-pyrrolo[3,4-b]pyridin-6-carboxylat [German] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-b]pyridine-6-carboxylic acid, octahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
MFCD11858524 [MDL number]
Octahydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Octahydro-pyrrolo[3,4-b]pyridine-6-carboxylic acid tert-butyl ester
tert-butyl octahydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate
1229428-51-6 [RN]
186203-81-6 [RN]
6-Boc-6H-octahydro-pyrrolo[3,4-b]pyridine
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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±15.0 °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±20.4 °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: 1.36
    ACD/LogD (pH 5.5): -0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.27
    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

    Click to predict properties on the Chemicalize site


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