ChemSpider 2D Image | MFCD16652584 | C17H14D6N6

MFCD16652584

  • Molecular FormulaC17H14D6N6
  • Average mass314.418 Da
  • Monoisotopic mass314.212616 Da
  • ChemSpider ID49072206

  • Non-standard isotope - Non-standard isotope

More details:

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

1228182-50-0 [RN]
2,4-Pyrimidinediamine, 5-[[8-(dimethyl-d3-amino)-7-methyl-5-quinolinyl]methyl]- [ACD/Index Name]
5-[(8-{Bis[(2H3)methyl]amino}-7-methyl-5-chinolinyl)methyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-[(8-{Bis[(2H3)méthyl]amino}-7-méthyl-5-quinoléinyl)méthyl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
5-[(8-{Bis[(2H3)methyl]amino}-7-methyl-5-quinolinyl)methyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-{[8-(Dimethylamino-d6)-7-methyl-5-quinolinyl]methyl}-2,4-pyrimidinediamine
BAQUILOPRIM-D6
MFCD16652584
5-[(8-{Bis[(2H3)methyl]amino}-7-methylquinolin-5-yl)methyl]pyrimidine-2,4-diamine

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 567.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.2±3.0 kJ/mol
    Flash Point: 297.2±32.9 °C
    Index of Refraction: 1.719
    Molar Refractivity: 95.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.32
    ACD/LogD (pH 5.5): 0.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.05
    ACD/LogD (pH 7.4): 1.90
    ACD/BCF (pH 7.4): 15.27
    ACD/KOC (pH 7.4): 225.92
    Polar Surface Area: 94 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 69.0±3.0 dyne/cm
    Molar Volume: 241.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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