ChemSpider 2D Image | 1,3-Diethyl-2-[(4-methylphenyl)ethynyl]-2,3-dihydro-1H-1,3,2-benzodiazaborole | C19H21BN2

1,3-Diethyl-2-[(4-methylphenyl)ethynyl]-2,3-dihydro-1H-1,3,2-benzodiazaborole

  • Molecular FormulaC19H21BN2
  • Average mass288.194 Da
  • Monoisotopic mass288.179779 Da
  • ChemSpider ID30652593

More details:

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

1,3-Diethyl-2-[(4-methylphenyl)ethinyl]-2,3-dihydro-1H-1,3,2-benzodiazaborol [German] [ACD/IUPAC Name]
1,3-Diethyl-2-[(4-methylphenyl)ethynyl]-2,3-dihydro-1H-1,3,2-benzodiazaborole [ACD/IUPAC Name]
1,3-Diéthyl-2-[(4-méthylphényl)éthynyl]-2,3-dihydro-1H-1,3,2-benzodiazaborole [French] [ACD/IUPAC Name]
1H-1,3,2-Benzodiazaborole, 1,3-diethyl-2,3-dihydro-2-[2-(4-methylphenyl)ethynyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 406.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 199.9±26.8 °C
Index of Refraction: 1.608
Molar Refractivity: 91.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 6 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 263.3±5.0 cm3

Click to predict properties on the Chemicalize site


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