ChemSpider 2D Image | (1S)-1-(3-Hydroxy-4-methoxybenzyl)-6-methoxy-2-(~2~H_3_)methyl-1,2,3,4-tetrahydro-7-isoquinolinol | C19H20D3NO4

(1S)-1-(3-Hydroxy-4-methoxybenzyl)-6-methoxy-2-(2H3)methyl-1,2,3,4-tetrahydro-7-isoquinolinol

  • Molecular FormulaC19H20D3NO4
  • Average mass332.409 Da
  • Monoisotopic mass332.181549 Da
  • ChemSpider ID48061389

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S)-1-(3-Hydroxy-4-methoxybenzyl)-6-methoxy-2-(2H3)methyl-1,2,3,4-tetrahydro-7-isochinolinol [German] [ACD/IUPAC Name]
(1S)-1-(3-Hydroxy-4-méthoxybenzyl)-6-méthoxy-2-(2H3)méthyl-1,2,3,4-tétrahydro-7-isoquinoléinol [French] [ACD/IUPAC Name]
(1S)-1-(3-Hydroxy-4-methoxybenzyl)-6-methoxy-2-(2H3)methyl-1,2,3,4-tetrahydro-7-isoquinolinol [ACD/IUPAC Name]
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-d3)-, (1S)- [ACD/Index Name]
(1S)-1-[(3-Hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(2H3)methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinolin-7-ol
1346603-23-3 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 504.9±50.0 °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: 259.2±30.1 °C
    Index of Refraction: 1.604
    Molar Refractivity: 93.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.09
    ACD/LogD (pH 5.5): 0.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.62
    ACD/LogD (pH 7.4): 1.88
    ACD/BCF (pH 7.4): 11.30
    ACD/KOC (pH 7.4): 131.38
    Polar Surface Area: 62 Å2
    Polarizability: 36.9±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 270.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement