ChemSpider 2D Image | 2-Isopropyl-1-oxo-3-phenyl-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid | C19H19NO3

2-Isopropyl-1-oxo-3-phenyl-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid

  • Molecular FormulaC19H19NO3
  • Average mass309.359 Da
  • Monoisotopic mass309.136505 Da
  • ChemSpider ID24600368

More details:

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

2-Isopropyl-1-oxo-3-phenyl-1,2,3,4-tetrahydro-4-isochinolincarbonsäure [German] [ACD/IUPAC Name]
2-Isopropyl-1-oxo-3-phenyl-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid [ACD/IUPAC Name]
4-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(1-methylethyl)-1-oxo-3-phenyl- [ACD/Index Name]
Acide 2-isopropyl-1-oxo-3-phényl-1,2,3,4-tétrahydro-4-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
MFCD13176483 [MDL number]
1189749-27-6 [RN]
1-oxo-3-phenyl-2-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
1-oxo-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid
2-isopropyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
2-Isopropyl-1-oxo-3-phenyl-1,2,3,4-tetrahydro-isoquinoline-4-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 495.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.4±3.0 kJ/mol
    Flash Point: 253.6±28.7 °C
    Index of Refraction: 1.602
    Molar Refractivity: 86.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.53
    ACD/LogD (pH 5.5): 1.07
    ACD/BCF (pH 5.5): 1.32
    ACD/KOC (pH 5.5): 11.90
    ACD/LogD (pH 7.4): -0.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 50.9±3.0 dyne/cm
    Molar Volume: 252.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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