ChemSpider 2D Image | 2-Benzyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | C17H17NO2

2-Benzyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

  • Molecular FormulaC17H17NO2
  • Average mass267.322 Da
  • Monoisotopic mass267.125916 Da
  • ChemSpider ID13833514

More details:






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

2-Benzyl-1,2,3,4-tetrahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
2-Benzyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
2-benzyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
2-BENZYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(phenylmethyl)- [ACD/Index Name]
54329-48-5 [RN]
Acide 2-benzyl-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
MFCD04114480 [MDL number]
(S)-2-BENZYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
[54329-48-5] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 438.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.3±3.0 kJ/mol
    Flash Point: 219.0±28.7 °C
    Index of Refraction: 1.627
    Molar Refractivity: 77.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.05
    ACD/LogD (pH 5.5): 0.68
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.07
    ACD/LogD (pH 7.4): 0.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.54
    Polar Surface Area: 41 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 54.9±3.0 dyne/cm
    Molar Volume: 217.9±3.0 cm3

    Click to predict properties on the Chemicalize site






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