ChemSpider 2D Image | N-(p-Aminophenethyl)spiperone | C31H35FN4O2

N-(p-Aminophenethyl)spiperone

  • Molecular FormulaC31H35FN4O2
  • Average mass514.634 Da
  • Monoisotopic mass514.274414 Da
  • ChemSpider ID111351

More details:

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

1,3,8-Triazaspiro[4.5]decan-4-one, 3-[2-(4-aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl- [ACD/Index Name]
3-[2-(4-Aminophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC Name]
3-[2-(4-Aminophényl)éthyl]-8-[4-(4-fluorophényl)-4-oxobutyl]-1-phényl-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]
3-[2-(4-Aminophenyl)ethyl]-8-[4-(4-fluorphenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-on [German] [ACD/IUPAC Name]
93801-18-4 [RN]
N-(p-Aminophenethyl)spiperone
1,3,8-Triazaspiro(4.5)decan-4-one, 3-(2-(4-aminophenyl)ethyl)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-, (5Z,11α,13E,15R)-
91683-37-3 [RN]
99520-57-7 [RN]
N-(4-Aminophenethyl)spiperone
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 736.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.4±3.0 kJ/mol
    Flash Point: 399.2±32.9 °C
    Index of Refraction: 1.654
    Molar Refractivity: 147.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.61
    ACD/LogD (pH 5.5): 0.92
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.13
    ACD/LogD (pH 7.4): 2.30
    ACD/BCF (pH 7.4): 13.31
    ACD/KOC (pH 7.4): 75.52
    Polar Surface Area: 70 Å2
    Polarizability: 58.6±0.5 10-24cm3
    Surface Tension: 62.3±5.0 dyne/cm
    Molar Volume: 403.6±5.0 cm3

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