ChemSpider 2D Image | 2-tert-Butyl 4-methyl isoquinoline-2,4(1H)-dicarboxylate | C16H19NO4

2-tert-Butyl 4-methyl isoquinoline-2,4(1H)-dicarboxylate

  • Molecular FormulaC16H19NO4
  • Average mass289.326 Da
  • Monoisotopic mass289.131409 Da
  • ChemSpider ID24534363

More details:

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

1187830-86-9 [RN]
2-(tert-butyl) 4-methyl isoquinoline-2,4(1H)-dicarboxylate
2,4(1H)-Isoquinoléinedicarboxylate de 4-méthyle et de 2-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
2,4(1H)-Isoquinolinedicarboxylic acid, 2-(1,1-dimethylethyl) 4-methyl ester [ACD/Index Name]
2-tert-Butyl 4-methyl isoquinoline-2,4(1H)-dicarboxylate
4-Methyl 2-(2-methyl-2-propanyl) 2,4(1H)-isoquinolinedicarboxylate [ACD/IUPAC Name]
4-Methyl-2-(2-methyl-2-propanyl)-2,4(1H)-isochinolindicarboxylat [German] [ACD/IUPAC Name]
118783-08-7 [RN]
182415-24-3 [RN]
1H-Isoquinolin-2,4-dicarboxylic acid 2-tert-butyl ester 4-Methyl ester
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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: 1.2±0.1 g/cm3
    Boiling Point: 416.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.9±3.0 kJ/mol
    Flash Point: 205.5±28.7 °C
    Index of Refraction: 1.548
    Molar Refractivity: 77.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.97
    ACD/LogD (pH 5.5): 3.27
    ACD/BCF (pH 5.5): 181.19
    ACD/KOC (pH 5.5): 1438.71
    ACD/LogD (pH 7.4): 3.27
    ACD/BCF (pH 7.4): 181.19
    ACD/KOC (pH 7.4): 1438.71
    Polar Surface Area: 56 Å2
    Polarizability: 30.7±0.5 10-24cm3
    Surface Tension: 45.0±3.0 dyne/cm
    Molar Volume: 243.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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