ChemSpider 2D Image | MFCD01015114 | C22H31N3O4

MFCD01015114

  • Molecular FormulaC22H31N3O4
  • Average mass401.499 Da
  • Monoisotopic mass401.231445 Da
  • ChemSpider ID17741284

More details:

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

3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-2-oxo-1-propyl-, 2-(1-oxononyl)hydrazide [ACD/Index Name]
4-Hydroxy-N'-nonanoyl-2-oxo-1-propyl-1,2-dihydro-3-chinolincarbohydrazid [German] [ACD/IUPAC Name]
4-Hydroxy-N'-nonanoyl-2-oxo-1-propyl-1,2-dihydro-3-quinoléinecarbohydrazide [French] [ACD/IUPAC Name]
4-Hydroxy-N'-nonanoyl-2-oxo-1-propyl-1,2-dihydro-3-quinolinecarbohydrazide [ACD/IUPAC Name]
4-hydroxy-N'-nonanoyl-2-oxo-1-propyl-1,2-dihydroquinoline-3-carbohydrazide
MFCD01015114
2-hydroxy-4-keto-N'-pelargonyl-1-propyl-quinoline-3-carbohydrazide
300589-65-5 [RN]
4-HO-2-OXO-1-PR-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID N'-NONANOYL-HYDRAZIDE
4-Hydroxy-2-oxo-1-propyl-1,2-dihydro-quinoline-3-carboxylic acid N'-nonanoyl-hydrazide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 00505198 [DBID]
ZINC08398453 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 597.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.6±3.0 kJ/mol
    Flash Point: 315.1±30.1 °C
    Index of Refraction: 1.561
    Molar Refractivity: 110.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 4.15
    ACD/LogD (pH 5.5): 2.47
    ACD/BCF (pH 5.5): 28.17
    ACD/KOC (pH 5.5): 221.65
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.70
    Polar Surface Area: 99 Å2
    Polarizability: 43.9±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 342.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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