ChemSpider 2D Image | 4-(3-Bromobenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid | C18H23BrN2O4

4-(3-Bromobenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

  • Molecular FormulaC18H23BrN2O4
  • Average mass411.290 Da
  • Monoisotopic mass410.084106 Da
  • ChemSpider ID29809657

More details:

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

1-Oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid, 4-(3-bromobenzoyl)-8-propyl- [ACD/Index Name]
4-(3-Brombenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decan-3-carbonsäure [German] [ACD/IUPAC Name]
4-(3-Bromobenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid [ACD/IUPAC Name]
Acide 4-(3-bromobenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]décane-3-carboxylique [French] [ACD/IUPAC Name]
1326812-94-5 [RN]
atoms 25 bonds 27
MFCD19706423

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 580.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.3±3.0 kJ/mol
    Flash Point: 304.7±30.1 °C
    Index of Refraction: 1.630
    Molar Refractivity: 97.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.27
    ACD/LogD (pH 7.4): 0.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.22
    Polar Surface Area: 70 Å2
    Polarizability: 38.5±0.5 10-24cm3
    Surface Tension: 63.4±5.0 dyne/cm
    Molar Volume: 273.3±5.0 cm3

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