ChemSpider 2D Image | 1-[(TERT-BUTOXY)CARBONYL]-OCTAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-3A-CARBOXYLIC ACID | C13H22N2O4

1-[(TERT-BUTOXY)CARBONYL]-OCTAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-3A-CARBOXYLIC ACID

  • Molecular FormulaC13H22N2O4
  • Average mass270.325 Da
  • Monoisotopic mass270.157959 Da
  • ChemSpider ID45649502

More details:

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

1-[(TERT-BUTOXY)CARBONYL]-OCTAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-3A-CARBOXYLIC ACID
1-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydro-3aH-pyrrolo[3,2-c]pyridin-3a-carbonsäure [German] [ACD/IUPAC Name]
1-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydro-3aH-pyrrolo[3,2-c]pyridine-3a-carboxylic acid [ACD/IUPAC Name]
1334416-52-2 [RN]
1H-Pyrrolo[3,2-c]pyridine-1,3a(4H)-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
Acide 1-{[(2-méthyl-2-propanyl)oxy]carbonyl}octahydro-3aH-pyrrolo[3,2-c]pyridine-3a-carboxylique [French] [ACD/IUPAC Name]
1-(t-Butoxycarbonyl)-octahydro-1H-pyrrolo[3,2-c]pyridine-3a-carboxylic acid
1-(tert-butoxycarbonyl)-hexahydro-2H-pyrrolo[3,2-c]pyridine-3a-carboxylic acid
1-(tert-butoxycarbonyl)-octahydro-1H-pyrrolo[3,2-c]pyridine-3a-carboxylic acid
1-(tert-Butoxycarbonyl)octahydro-1H-pyrrolo[3,2-c]pyridine-3a-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 410.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.7±6.0 kJ/mol
    Flash Point: 202.0±28.7 °C
    Index of Refraction: 1.525
    Molar Refractivity: 68.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.14
    ACD/LogD (pH 5.5): -1.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 79 Å2
    Polarizability: 27.0±0.5 10-24cm3
    Surface Tension: 48.1±3.0 dyne/cm
    Molar Volume: 222.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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