ChemSpider 2D Image | 2-(2-{[(4-Amino-3-pyridinyl)amino]methyl}phenyl)-1H-isoindole-1,3(2H)-dione | C20H16N4O2

2-(2-{[(4-Amino-3-pyridinyl)amino]methyl}phenyl)-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC20H16N4O2
  • Average mass344.367 Da
  • Monoisotopic mass344.127319 Da
  • ChemSpider ID29783967

More details:

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

1417793-22-6 [RN]
1H-Isoindole-1,3(2H)-dione, 2-[2-[[(4-amino-3-pyridinyl)amino]methyl]phenyl]- [ACD/Index Name]
2-(2-{[(4-Amino-3-pyridinyl)amino]methyl}phenyl)-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(2-{[(4-Amino-3-pyridinyl)amino]methyl}phenyl)-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-(2-{[(4-Amino-3-pyridinyl)amino]méthyl}phényl)-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-(2-{[(4-aminopyridin-3-yl)amino]methyl}phenyl)-2,3-dihydro-1H-isoindole-1,3-dione
2-(2-(((4-Aminopyridin-3-yl)amino)methyl)phenyl)isoindoline-1,3-dione
2-(2-(((4-Aminopyridin-3-yl)amino)methyl)-phenyl)isoindoline-1,3-dione
2-[2-[[(4-aminopyridin-3-yl)amino]methyl]phenyl]isoindole-1,3-dione
2-{2-[(4-Amino-pyridin-3-ylamino)-methyl]-phenyl}-isoindole-1,3-dione
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 620.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.0±3.0 kJ/mol
    Flash Point: 329.2±34.3 °C
    Index of Refraction: 1.747
    Molar Refractivity: 98.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.21
    ACD/LogD (pH 5.5): -0.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 6.16
    Polar Surface Area: 88 Å2
    Polarizability: 39.1±0.5 10-24cm3
    Surface Tension: 80.8±3.0 dyne/cm
    Molar Volume: 242.4±3.0 cm3

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