ChemSpider 2D Image | 2-Boc-6-Acetyl-1,2,3,4-tetrahydroisoquinoline | C16H21NO3


  • Molecular FormulaC16H21NO3
  • Average mass275.343 Da
  • Monoisotopic mass275.152130 Da
  • ChemSpider ID28290104

More details:

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

1008518-35-1 [RN]
2(1H)-Isoquinolinecarboxylic acid, 6-acetyl-3,4-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-acetyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-acetyl-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
6-Acétyl-3,4-dihydro-2(1H)-isoquinoléinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
[1008518-35-1] [RN]
6-Acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylic Acid Tert-Butyl Ester

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

  • Miscellaneous
    • Appearance:

      Yellow liquid Novochemy [NC-28252]
    • Safety:

      20/21/36/37/39 Novochemy [NC-28252]
      36/37/38 Novochemy [NC-28252]
      GHS02; GHS07; GHS09 Novochemy [NC-28252]
      H304; H332; H403 Novochemy [NC-28252]
      P301+P310; P337+P313 Novochemy [NC-28252]
      R22 Novochemy [NC-28252]
      Warning Novochemy [NC-28252]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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