ChemSpider 2D Image | (3-(3-(4-ethylpiperazin-1-yl)propoxy)phenyl)boronic acid | C15H25BN2O3

(3-(3-(4-ethylpiperazin-1-yl)propoxy)phenyl)boronic acid

  • Molecular FormulaC15H25BN2O3
  • Average mass292.182 Da
  • Monoisotopic mass292.195831 Da
  • ChemSpider ID32076209

More details:

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

(3-(3-(4-ethylpiperazin-1-yl)propoxy)phenyl)boronic acid
{3-[3-(4-Ethyl-1-piperazinyl)propoxy]phenyl}boronic acid [ACD/IUPAC Name]
{3-[3-(4-Ethyl-1-piperazinyl)propoxy]phenyl}borsäure [German] [ACD/IUPAC Name]
1704063-57-9 [RN]
Acide {3-[3-(4-éthyl-1-pipérazinyl)propoxy]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[3-(4-ethyl-1-piperazinyl)propoxy]phenyl]- [ACD/Index Name]
{3-[3-(4-ETHYLPIPERAZIN-1-YL)PROPOXY]PHENYL}BORONIC ACID
3-[3-(4-ETHYLPIPERAZIN-1-YL)PROPOXY]PHENYLBORONIC ACID
4-(4-ethylpiperazin-1-ylsulfonyl)phenylboronic acid
486422-70-2 [RN]
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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: 472.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.5±3.0 kJ/mol
    Flash Point: 239.7±31.5 °C
    Index of Refraction: 1.561
    Molar Refractivity: 82.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.54
    ACD/LogD (pH 5.5): -0.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.89
    ACD/BCF (pH 7.4): 1.85
    ACD/KOC (pH 7.4): 32.91
    Polar Surface Area: 56 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 49.2±5.0 dyne/cm
    Molar Volume: 254.5±5.0 cm3

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