ChemSpider 2D Image | 3-{[2-(Dimethylamino)ethyl]amino}-4-{[1-hydroxy-2-(hydroxymethyl)-2-butanyl]amino}-3-cyclobutene-1,2-dione | C13H23N3O4

3-{[2-(Dimethylamino)ethyl]amino}-4-{[1-hydroxy-2-(hydroxymethyl)-2-butanyl]amino}-3-cyclobutene-1,2-dione

  • Molecular FormulaC13H23N3O4
  • Average mass285.339 Da
  • Monoisotopic mass285.168854 Da
  • ChemSpider ID27320402

More details:

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

3-{[2-(Dimethylamino)ethyl]amino}-4-{[1-hydroxy-2-(hydroxymethyl)-2-butanyl]amino}-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-{[2-(Dimethylamino)ethyl]amino}-4-{[1-hydroxy-2-(hydroxymethyl)-2-butanyl]amino}-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-{[2-(Diméthylamino)éthyl]amino}-4-{[1-hydroxy-2-(hydroxyméthyl)-2-butanyl]amino}-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-[[1,1-bis(hydroxymethyl)propyl]amino]-4-[[2-(dimethylamino)ethyl]amino]- [ACD/Index Name]
1282095-27-5 [RN]
3-[2-(dimethylamino)ethylamino]-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]cyclobut-3-ene-1,2-dione
3-{[2-(dimethylamino)ethyl]amino}-4-{[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino}cyclobut-3-ene-1,2-dione

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 475.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 85.2±6.0 kJ/mol
    Flash Point: 241.4±31.5 °C
    Index of Refraction: 1.561
    Molar Refractivity: 74.1±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: -0.29
    ACD/LogD (pH 5.5): -3.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 55.6±5.0 dyne/cm
    Molar Volume: 228.8±5.0 cm3

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