ChemSpider 2D Image | (2-((4-ethylpiperazin-1-yl)sulfonyl)phenyl)boronic acid | C12H19BN2O4S

(2-((4-ethylpiperazin-1-yl)sulfonyl)phenyl)boronic acid

  • Molecular FormulaC12H19BN2O4S
  • Average mass298.166 Da
  • Monoisotopic mass298.115845 Da
  • ChemSpider ID34980251

More details:

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

(2-((4-ethylpiperazin-1-yl)sulfonyl)phenyl)boronic acid
{2-[(4-Ethyl-1-piperazinyl)sulfonyl]phenyl}boronic acid [ACD/IUPAC Name]
{2-[(4-Ethyl-1-piperazinyl)sulfonyl]phenyl}borsäure [German] [ACD/IUPAC Name]
1704063-64-8 [RN]
Acide {2-[(4-éthyl-1-pipérazinyl)sulfonyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]- [ACD/Index Name]
{2-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}BORONIC ACID
2-(4-ethylpiperazin-1-ylsulfonyl)phenylboronic acid
MFCD28396566

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 498.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.7±3.0 kJ/mol
    Flash Point: 255.3±31.5 °C
    Index of Refraction: 1.607
    Molar Refractivity: 75.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.40
    ACD/LogD (pH 5.5): -0.40
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.65
    ACD/LogD (pH 7.4): 0.95
    ACD/BCF (pH 7.4): 2.70
    ACD/KOC (pH 7.4): 59.72
    Polar Surface Area: 89 Å2
    Polarizability: 30.0±0.5 10-24cm3
    Surface Tension: 61.5±5.0 dyne/cm
    Molar Volume: 219.0±5.0 cm3

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