ChemSpider 2D Image | 6,7-Dimethoxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester | C17H23NO6

6,7-Dimethoxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester

  • Molecular FormulaC17H23NO6
  • Average mass337.368 Da
  • Monoisotopic mass337.152527 Da
  • ChemSpider ID13188634

More details:

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

2-(tert-Butoxycarbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-6,7-dimethoxy-, 2-(1,1-dimethylethyl) ester [ACD/Index Name]
317806-26-1 [RN]
6,7-Dimethoxy-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
6,7-Dimethoxy-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
6,7-Dimethoxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester
Acide 6,7-diméthoxy-2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
6,7-Dimethoxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylicacid2-tert-butylester
MFCD07366608

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 497.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.6±3.0 kJ/mol
    Flash Point: 254.4±28.7 °C
    Index of Refraction: 1.540
    Molar Refractivity: 86.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): -0.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.56
    ACD/LogD (pH 7.4): -1.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 34.2±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 274.8±3.0 cm3

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