ChemSpider 2D Image | 2-(2-Phenylethyl)-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a]benzimidazole | C19H20N6

2-(2-Phenylethyl)-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a]benzimidazole

  • Molecular FormulaC19H20N6
  • Average mass332.402 Da
  • Monoisotopic mass332.174957 Da
  • ChemSpider ID22487814

More details:

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

1H-[1,3,5]Triazino[1',2':3,4][1,3,5]triazino[1,2-a]benzimidazole, 2,3,4,6-tetrahydro-2-(2-phenylethyl)- [ACD/Index Name]
2-(2-Phenylethyl)-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a]benzimidazol [German] [ACD/IUPAC Name]
2-(2-Phenylethyl)-2,3,4,6-tetrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a]benzimidazole [ACD/IUPAC Name]
2-(2-Phényléthyl)-2,3,4,6-tétrahydro-1H-[1,3,5]triazino[1',2':3,4][1,3,5]triazino[1,2-a]benzimidazole [French] [ACD/IUPAC Name]
1158570-92-3 [RN]
2-phenethyl-2,3,5,6-tetrahydro-1H-benzo[4,5]imidazo[1,2-a][1,3,5]triazino[1,2-c][1,3,5]triazine

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 521.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.4±3.0 kJ/mol
    Flash Point: 268.9±32.9 °C
    Index of Refraction: 1.747
    Molar Refractivity: 98.4±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): 0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.73
    ACD/LogD (pH 7.4): 1.52
    ACD/BCF (pH 7.4): 5.28
    ACD/KOC (pH 7.4): 65.93
    Polar Surface Area: 49 Å2
    Polarizability: 39.0±0.5 10-24cm3
    Surface Tension: 60.4±7.0 dyne/cm
    Molar Volume: 242.3±7.0 cm3

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