ChemSpider 2D Image | 2-(ethyl(methyl)amino)isonicotinonitrile | C9H11N3

2-(ethyl(methyl)amino)isonicotinonitrile

  • Molecular FormulaC9H11N3
  • Average mass161.204 Da
  • Monoisotopic mass161.095291 Da
  • ChemSpider ID27204738

More details:

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

1094778-15-0 [RN]
2-(ethyl(methyl)amino)isonicotinonitrile
2-[Ethyl(methyl)amino]isonicotinonitril [German] [ACD/IUPAC Name]
2-[Ethyl(methyl)amino]isonicotinonitrile [ACD/IUPAC Name]
2-[Éthyl(méthyl)amino]isonicotinonitrile [French] [ACD/IUPAC Name]
4-Pyridinecarbonitrile, 2-(ethylmethylamino)- [ACD/Index Name]
2-(ethyl (methyl)amino)isonicotinonitrile
2-[Ethyl(methyl)amino]pyridine-4-carbonitrile
MFCD11623084 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 273.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.2±3.0 kJ/mol
    Flash Point: 119.1±23.2 °C
    Index of Refraction: 1.543
    Molar Refractivity: 46.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.64
    ACD/LogD (pH 5.5): 1.36
    ACD/BCF (pH 5.5): 5.59
    ACD/KOC (pH 5.5): 102.88
    ACD/LogD (pH 7.4): 1.58
    ACD/BCF (pH 7.4): 9.31
    ACD/KOC (pH 7.4): 171.39
    Polar Surface Area: 40 Å2
    Polarizability: 18.6±0.5 10-24cm3
    Surface Tension: 48.9±5.0 dyne/cm
    Molar Volume: 148.7±5.0 cm3

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