ChemSpider 2D Image | 3-(1-piperidinylmethyl)phenylboronic acid | C12H18BNO2

3-(1-piperidinylmethyl)phenylboronic acid

  • Molecular FormulaC12H18BNO2
  • Average mass219.088 Da
  • Monoisotopic mass219.143066 Da
  • ChemSpider ID23361580

More details:

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

(3-(Piperidin-1-ylmethyl)phenyl)boronic acid
[3-(1-Piperidinylmethyl)phenyl]boronic acid [ACD/IUPAC Name]
[3-(1-Piperidinylmethyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[3-(Piperidin-1-ylmethyl)phenyl]boronic acid
1032610-59-5 [RN]
3-(1-piperidinylmethyl)phenylboronic acid
3-(Piperidin-1-ylmethyl)phenylboronic acid
Acide [3-(1-pipéridinylméthyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-(1-piperidinylmethyl)phenyl]- [ACD/Index Name]
MFCD08060620 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 379.6±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.2±3.0 kJ/mol
    Flash Point: 183.4±28.4 °C
    Index of Refraction: 1.565
    Molar Refractivity: 62.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): -0.82
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.68
    Polar Surface Area: 44 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 47.6±5.0 dyne/cm
    Molar Volume: 193.1±5.0 cm3

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