ChemSpider 2D Image | (3-(2-(4-ethylpiperazin-1-yl)ethoxy)phenyl)boronic acid | C14H23BN2O3

(3-(2-(4-ethylpiperazin-1-yl)ethoxy)phenyl)boronic acid

  • Molecular FormulaC14H23BN2O3
  • Average mass278.155 Da
  • Monoisotopic mass278.180176 Da
  • ChemSpider ID34980081

More details:

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

(3-(2-(4-ethylpiperazin-1-yl)ethoxy)phenyl)boronic acid
{3-[2-(4-Ethyl-1-piperazinyl)ethoxy]phenyl}boronic acid [ACD/IUPAC Name]
{3-[2-(4-Ethyl-1-piperazinyl)ethoxy]phenyl}borsäure [German] [ACD/IUPAC Name]
1334331-78-0 [RN]
Acide {3-[2-(4-éthyl-1-pipérazinyl)éthoxy]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[2-(4-ethyl-1-piperazinyl)ethoxy]phenyl]- [ACD/Index Name]
{3-[2-(4-ETHYLPIPERAZIN-1-YL)ETHOXY]PHENYL}BORONIC ACID
3-[2-(4-ETHYLPIPERAZIN-1-YL)ETHOXY]PHENYLBORONIC ACID
MFCD28805501

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 457.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.6±3.0 kJ/mol
    Flash Point: 230.2±31.5 °C
    Index of Refraction: 1.567
    Molar Refractivity: 77.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): -0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.72
    ACD/BCF (pH 7.4): 1.46
    ACD/KOC (pH 7.4): 30.14
    Polar Surface Area: 56 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 50.1±5.0 dyne/cm
    Molar Volume: 238.3±5.0 cm3

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