ChemSpider 2D Image | tert-Butyl 7-acetyl-3,4-dihydroisoquinoline-2(1H)-carboxylate | C16H21NO3

tert-Butyl 7-acetyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

  • Molecular FormulaC16H21NO3
  • Average mass275.343 Da
  • Monoisotopic mass275.152130 Da
  • ChemSpider ID28420316

More details:

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

1,1-Dimethylethyl 7-acetyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate
149353-74-2 [RN]
2(1H)-Isoquinolinecarboxylic acid, 7-acetyl-3,4-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 7-acetyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-7-acetyl-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
7-Acétyl-3,4-dihydro-2(1H)-isoquinoléinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 7-acetyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
[149353-74-2] [RN]
1,4-bis(4,5-dihydrooxazol-2-yl)butane
4,5,4',5'-tetrahydro-2,2'-butane-1,4-diyl-bis-oxazole
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 415.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.8±3.0 kJ/mol
    Flash Point: 205.0±28.7 °C
    Index of Refraction: 1.537
    Molar Refractivity: 76.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.39
    ACD/LogD (pH 5.5): 3.24
    ACD/BCF (pH 5.5): 171.92
    ACD/KOC (pH 5.5): 1385.68
    ACD/LogD (pH 7.4): 3.24
    ACD/BCF (pH 7.4): 171.92
    ACD/KOC (pH 7.4): 1385.68
    Polar Surface Area: 47 Å2
    Polarizability: 30.5±0.5 10-24cm3
    Surface Tension: 41.5±3.0 dyne/cm
    Molar Volume: 246.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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