ChemSpider 2D Image | 1-Benzyl-4-isocyanato-5-methyl-1H-1,2,3-triazole | C11H10N4O

1-Benzyl-4-isocyanato-5-methyl-1H-1,2,3-triazole

  • Molecular FormulaC11H10N4O
  • Average mass214.223 Da
  • Monoisotopic mass214.085464 Da
  • ChemSpider ID21474279

More details:

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

1-Benzyl-4-isocyanato-5-methyl-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
1-Benzyl-4-isocyanato-5-methyl-1H-1,2,3-triazole [ACD/IUPAC Name]
1-Benzyl-4-isocyanato-5-méthyl-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole, 4-isocyanato-5-methyl-1-(phenylmethyl)- [ACD/Index Name]
MFCD08235261 [MDL number]
[(4-Isocyanato-5-methyl-1H-1,2,3-triazol-1-yl)methyl]benzene
1-benzyl-4-isocyanato-5-methyltriazole
1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl isocyanate
1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl isocyanate, 4-Isocyanato-5-methyl-1-(phenylmethyl)-1H-1,2,3-triazole
1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl isocyanate; [(4-Isocyanato-5-methyl-1H-1,2,3-triazol-1-yl)methyl]benzene
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 382.2±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 185.0±28.4 °C
    Index of Refraction: 1.630
    Molar Refractivity: 61.9±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.21
    ACD/LogD (pH 5.5): 2.13
    ACD/BCF (pH 5.5): 24.64
    ACD/KOC (pH 5.5): 344.99
    ACD/LogD (pH 7.4): 2.13
    ACD/BCF (pH 7.4): 24.64
    ACD/KOC (pH 7.4): 344.99
    Polar Surface Area: 60 Å2
    Polarizability: 24.5±0.5 10-24cm3
    Surface Tension: 49.3±7.0 dyne/cm
    Molar Volume: 174.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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