ChemSpider 2D Image | Benzyl 3-phenyl-2(1H)-isoquinolinecarboxylate | C23H19NO2

Benzyl 3-phenyl-2(1H)-isoquinolinecarboxylate

  • Molecular FormulaC23H19NO2
  • Average mass341.402 Da
  • Monoisotopic mass341.141571 Da
  • ChemSpider ID28414650

More details:

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

2(1H)-Isoquinolinecarboxylic acid, 3-phenyl-, phenylmethyl ester [ACD/Index Name]
3-Phényl-2(1H)-isoquinoléinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 3-phenyl-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
Benzyl-3-phenyl-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 273.0±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4413.46
ACD/KOC (pH 5.5): 14142.48
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4413.46
ACD/KOC (pH 7.4): 14142.48
Polar Surface Area: 30 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 281.1±3.0 cm3

Click to predict properties on the Chemicalize site


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