ChemSpider 2D Image | Benzyl 6,7-dimethoxy 1,2,3,4-tetrahydroisoquinoline-3-carboxylate | C19H21NO4

Benzyl 6,7-dimethoxy 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

  • Molecular FormulaC19H21NO4
  • Average mass327.374 Da
  • Monoisotopic mass327.147064 Da
  • ChemSpider ID21111941

More details:

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

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, phenylmethyl ester [ACD/Index Name]
6,7-Diméthoxy-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylate de benzyle [French] [ACD/IUPAC Name]
82586-59-2 [RN]
Benzyl 6,7-dimethoxy 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Benzyl 6,7-dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate [ACD/IUPAC Name]
Benzyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydro-3-isochinolincarboxylat [German] [ACD/IUPAC Name]
(S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-3-carboxylic acid benzyl ester
(S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3 -carboxylic acid benzyl ester

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-15564]
    • Safety:

      20/21/22 Novochemy [NC-15564]
      20/21/36/37/39 Novochemy [NC-15564]
      GHS07; GHS09 Novochemy [NC-15564]
      H332; H403 Novochemy [NC-15564]
      P301+P310; P337+P313 Novochemy [NC-15564]
      Warning Novochemy [NC-15564]
      Xn Novochemy [NC-15564]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 473.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 240.0±28.7 °C
Index of Refraction: 1.564
Molar Refractivity: 90.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 3.48
ACD/KOC (pH 5.5): 32.61
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 74.38
ACD/KOC (pH 7.4): 696.78
Polar Surface Area: 57 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 278.6±3.0 cm3

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