ChemSpider 2D Image | Tropodifene | C25H29NO4

Tropodifene

  • Molecular FormulaC25H29NO4
  • Average mass407.502 Da
  • Monoisotopic mass407.209656 Da
  • ChemSpider ID28528190

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-(4-acetoxyphenyl)-2-phenylpropanoate [ACD/IUPAC Name]
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl-3-(4-acetoxyphenyl)hydratropaat [German] [ACD/IUPAC Name]
15790-02-0 [RN]
3-(4-Acétoxyphényl)-2-phénylpropanoate de (3-endo)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
7W0QT89YCD
Benzenepropanoic acid, 4-(acetyloxy)-α-phenyl-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]
Tropodifene [INN]
UNII:7W0QT89YCD
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(4-acetyloxyphenyl)-2-phenylpropanoate
MFCD00869003
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2434 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 508.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.9±3.0 kJ/mol
    Flash Point: 261.4±30.1 °C
    Index of Refraction: 1.595
    Molar Refractivity: 115.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.96
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.80
    ACD/LogD (pH 7.4): 1.73
    ACD/BCF (pH 7.4): 3.07
    ACD/KOC (pH 7.4): 15.39
    Polar Surface Area: 56 Å2
    Polarizability: 45.6±0.5 10-24cm3
    Surface Tension: 51.3±5.0 dyne/cm
    Molar Volume: 338.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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