ChemSpider 2D Image | 4-(Methylamino)-1-[(~2~H_4_)-3-pyridinyl]-1-butanone | C10H10D4N2O

4-(Methylamino)-1-[(2H4)-3-pyridinyl]-1-butanone

  • Molecular FormulaC10H10D4N2O
  • Average mass182.256 Da
  • Monoisotopic mass182.135727 Da
  • ChemSpider ID28552647

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Butanone, 4-(methylamino)-1-(3-pyridinyl-d4)- [ACD/Index Name]
4-(Methylamino)-1-[(2H4)-3-pyridinyl]-1-butanon [German] [ACD/IUPAC Name]
4-(Methylamino)-1-[(2H4)-3-pyridinyl]-1-butanone [ACD/IUPAC Name]
4-(Méthylamino)-1-[(2H4)-3-pyridinyl]-1-butanone [French] [ACD/IUPAC Name]
4-(methylamino)-1-(2,4,5,6-tetradeuteriopyridin-3-yl)butan-1-one
764661-23-6 [RN]
794485-44-2 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 318.9±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.0±3.0 kJ/mol
    Flash Point: 146.7±22.3 °C
    Index of Refraction: 1.513
    Molar Refractivity: 51.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.30
    ACD/LogD (pH 5.5): -2.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 42 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 40.0±3.0 dyne/cm
    Molar Volume: 172.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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