ChemSpider 2D Image | 4-(1-Azepanyl)-6-[(6-ethoxy-3-pyridazinyl)oxy]-N-methyl-1,3,5-triazin-2-amine | C16H23N7O2

4-(1-Azepanyl)-6-[(6-ethoxy-3-pyridazinyl)oxy]-N-methyl-1,3,5-triazin-2-amine

  • Molecular FormulaC16H23N7O2
  • Average mass345.400 Da
  • Monoisotopic mass345.191315 Da
  • ChemSpider ID21686562

More details:

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

1,3,5-Triazin-2-amine, 4-[(6-ethoxy-3-pyridazinyl)oxy]-6-(hexahydro-1H-azepin-1-yl)-N-methyl- [ACD/Index Name]
4-(1-Azepanyl)-6-[(6-ethoxy-3-pyridazinyl)oxy]-N-methyl-1,3,5-triazin-2-amin [German] [ACD/IUPAC Name]
4-(1-Azepanyl)-6-[(6-ethoxy-3-pyridazinyl)oxy]-N-methyl-1,3,5-triazin-2-amine [ACD/IUPAC Name]
4-(1-Azépanyl)-6-[(6-éthoxy-3-pyridazinyl)oxy]-N-méthyl-1,3,5-triazin-2-amine [French] [ACD/IUPAC Name]
1021123-42-1 [RN]
4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine
4-(azepan-1-yl)-6-[(6-ethoxypyridazin-3-yl)oxy]-N-methyl-1,3,5-triazin-2-amine

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 593.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.5±3.0 kJ/mol
    Flash Point: 312.7±32.9 °C
    Index of Refraction: 1.593
    Molar Refractivity: 93.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.55
    ACD/LogD (pH 5.5): 1.49
    ACD/BCF (pH 5.5): 6.93
    ACD/KOC (pH 5.5): 116.75
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 12.69
    ACD/KOC (pH 7.4): 213.93
    Polar Surface Area: 98 Å2
    Polarizability: 37.1±0.5 10-24cm3
    Surface Tension: 62.5±3.0 dyne/cm
    Molar Volume: 276.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement