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Search term: MF = 'C_{14}H_{13}N_{3}O_{2}'

ChemSpider 2D Image | 2-(2-(2-Methyl-1H-imidazol-5-yl)ethyl)isoindoline-1,3-dione | C14H13N3O2

2-(2-(2-Methyl-1H-imidazol-5-yl)ethyl)isoindoline-1,3-dione

  • Molecular FormulaC14H13N3O2
  • Average mass255.272 Da
  • Monoisotopic mass255.100784 Da
  • ChemSpider ID13496997

More details:






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

1H-Isoindole-1,3(2H)-dione, 2-[2-(2-methyl-1H-imidazol-4-yl)ethyl]- [ACD/Index Name]
2-(2-(2-Methyl-1H-imidazol-5-yl)ethyl)isoindoline-1,3-dione
2-[2-(2-Methyl-1H-imidazol-4-yl)ethyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[2-(2-Methyl-1H-imidazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[2-(2-Méthyl-1H-imidazol-4-yl)éthyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
701899-63-0 [RN]
(R)-2-Amino-2-methylpent-4-enoic acid
2-(2-(2-methyl-1h-imidazol-5-yl)-ethyl)isoindoline-1,3-dione
2-[2-(2-methyl-1H-imidazol-4-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
2-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-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: 522.8±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.6±3.0 kJ/mol
    Flash Point: 270.0±25.4 °C
    Index of Refraction: 1.650
    Molar Refractivity: 68.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.16
    ACD/LogD (pH 5.5): -1.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 15.42
    Polar Surface Area: 66 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 66.3±3.0 dyne/cm
    Molar Volume: 188.7±3.0 cm3

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