ChemSpider 2D Image | Epetraborole | C11H16BNO4

Epetraborole

  • Molecular FormulaC11H16BNO4
  • Average mass237.060 Da
  • Monoisotopic mass237.117233 Da
  • ChemSpider ID35142509

More details:

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

1-Propanol, 3-[[3-(aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl]oxy]- [ACD/Index Name]
3-(Aminomethyl)-7-(3-hydroxypropoxy)-2,1-benzoxaborol-1(3H)-ol [German] [ACD/IUPAC Name]
3-(Aminomethyl)-7-(3-hydroxypropoxy)-2,1-benzoxaborol-1(3H)-ol [ACD/IUPAC Name]
3-(Aminométhyl)-7-(3-hydroxypropoxy)-2,1-benzoxaborol-1(3H)-ol [French] [ACD/IUPAC Name]
Epetraborole [INN]
1093643-33-4 [RN]
1093643-37-8 [RN]
3-(aminomethyl)-7-(3-hydroxypropoxy)-1,3-dihydro-2,1-benzoxaborol-1-ol
3-(aminomethyl)-7-(3-hydroxypropoxy)benzo[c][1,2]oxaborol-1(3H)-ol
3-[[3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 407.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.6±3.0 kJ/mol
    Flash Point: 200.4±31.5 °C
    Index of Refraction: 1.573
    Molar Refractivity: 61.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations:
    ACD/LogP:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 85 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 54.8±5.0 dyne/cm
    Molar Volume: 186.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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