ChemSpider 2D Image | 3-(1-pyrrolidinylmethyl)phenylboronic acid | C11H16BNO2

3-(1-pyrrolidinylmethyl)phenylboronic acid

  • Molecular FormulaC11H16BNO2
  • Average mass205.061 Da
  • Monoisotopic mass205.127411 Da
  • ChemSpider ID23361579

More details:

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

(3-(Pyrrolidin-1-ylmethyl)phenyl)boronic acid
[3-(1-Pyrrolidinylmethyl)phenyl]boronic acid [ACD/IUPAC Name]
[3-(1-Pyrrolidinylmethyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[3-(Pyrrolidin-1-ylmethyl)phenyl]boronic acid
1100095-09-7 [RN]
3-(1-pyrrolidinylmethyl)phenylboronic acid
Acide [3-(1-pyrrolidinylméthyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-(1-pyrrolidinylmethyl)phenyl]- [ACD/Index Name]
MFCD08060616 [MDL number]
[1100095-09-7] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 365.1±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 174.6±28.4 °C
    Index of Refraction: 1.573
    Molar Refractivity: 58.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.56
    ACD/LogD (pH 5.5): -1.43
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.50
    Polar Surface Area: 44 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 48.8±5.0 dyne/cm
    Molar Volume: 176.7±5.0 cm3

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