ChemSpider 2D Image | (4-{[5-(Aminomethyl)-1-methyl-1H-pyrazol-4-yl]ethynyl}phenyl)boronic acid | C13H14BN3O2

(4-{[5-(Aminomethyl)-1-methyl-1H-pyrazol-4-yl]ethynyl}phenyl)boronic acid

  • Molecular FormulaC13H14BN3O2
  • Average mass255.080 Da
  • Monoisotopic mass255.117905 Da
  • ChemSpider ID92808113

More details:

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

(4-{[5-(Aminomethyl)-1-methyl-1H-pyrazol-4-yl]ethinyl}phenyl)borsäure [German] [ACD/IUPAC Name]
(4-{[5-(Aminomethyl)-1-methyl-1H-pyrazol-4-yl]ethynyl}phenyl)boronic acid [ACD/IUPAC Name]
Acide (4-{[5-(aminométhyl)-1-méthyl-1H-pyrazol-4-yl]éthynyl}phényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[2-[5-(aminomethyl)-1-methyl-1H-pyrazol-4-yl]ethynyl]phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 521.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.3±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 72.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.24
Polar Surface Area: 84 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 215.8±7.0 cm3

Click to predict properties on the Chemicalize site


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