ChemSpider 2D Image | 6-benzyl 1-tert-butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1,6-dicarboxylate | C20H28N2O4

6-benzyl 1-tert-butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1,6-dicarboxylate

  • Molecular FormulaC20H28N2O4
  • Average mass360.447 Da
  • Monoisotopic mass360.204895 Da
  • ChemSpider ID28567532

More details:






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

1385694-44-9 [RN]
1H-Pyrrolo[3,4-b]pyridine-1,6(2H)-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) 6-(phenylmethyl) ester [ACD/Index Name]
6-Benzyl 1-(2-methyl-2-propanyl) hexahydro-1H-pyrrolo[3,4-b]pyridine-1,6(2H)-dicarboxylate [ACD/IUPAC Name]
6-benzyl 1-tert-butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1,6-dicarboxylate
6-Benzyl-1-(2-methyl-2-propanyl)-hexahydro-1H-pyrrolo[3,4-b]pyridin-1,6(2H)-dicarboxylat [German] [ACD/IUPAC Name]
Hexahydro-1H-pyrrolo[3,4-b]pyridine-1,6(2H)-dicarboxylate de 6-benzyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
[1385694-44-9] [RN]
106910-77-4 [RN]
1-BOC-6-CBZ-OCTAHYDROPYRROLO[3,4-B]PYRIDINE
MFCD22375697 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 474.2±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.7±3.0 kJ/mol
    Flash Point: 240.6±24.0 °C
    Index of Refraction: 1.547
    Molar Refractivity: 97.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.80
    ACD/LogD (pH 5.5): 3.79
    ACD/BCF (pH 5.5): 443.34
    ACD/KOC (pH 5.5): 2729.86
    ACD/LogD (pH 7.4): 3.79
    ACD/BCF (pH 7.4): 443.34
    ACD/KOC (pH 7.4): 2729.86
    Polar Surface Area: 59 Å2
    Polarizability: 38.7±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 308.3±3.0 cm3

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