ChemSpider 2D Image | Ethyl 6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate | C29H27N5O4

Ethyl 6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

  • Molecular FormulaC29H27N5O4
  • Average mass509.556 Da
  • Monoisotopic mass509.206299 Da
  • ChemSpider ID3025816

More details:

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

2(1H)-Isoquinolinecarboxylic acid, 6-amino-5,7,7-tricyano-3,7,8,8a-tetrahydro-8-[3-methoxy-4-(phenylmethoxy)phenyl]-, ethyl ester [ACD/Index Name]
6-Amino-8-[4-(benzyloxy)-3-méthoxyphényl]-5,7,7-tricyano-3,7,8,8a-tétrahydro-2(1H)-isoquinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
Ethyl-6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-5,7,7-tricyan-3,7,8,8a-tetrahydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
672273-55-1 [RN]
ethyl 6-amino-5,7,7-tricyano-8-(3-methoxy-4-phenylmethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
ethyl 6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 788.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 114.7±3.0 kJ/mol
    Flash Point: 430.7±32.9 °C
    Index of Refraction: 1.643
    Molar Refractivity: 137.9±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 4.01
    ACD/LogD (pH 5.5): 3.84
    ACD/BCF (pH 5.5): 485.07
    ACD/KOC (pH 5.5): 2906.76
    ACD/LogD (pH 7.4): 3.84
    ACD/BCF (pH 7.4): 487.75
    ACD/KOC (pH 7.4): 2922.85
    Polar Surface Area: 145 Å2
    Polarizability: 54.7±0.5 10-24cm3
    Surface Tension: 69.9±5.0 dyne/cm
    Molar Volume: 381.3±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement