ChemSpider 2D Image | 5-(1,3-Diethyl-1,3-dihydro-2H-1,3,2-benzodiazaborol-2-yl)-2-{[4-(dimethylamino)phenyl]ethynyl}benzonitrile | C27H27BN4

5-(1,3-Diethyl-1,3-dihydro-2H-1,3,2-benzodiazaborol-2-yl)-2-{[4-(dimethylamino)phenyl]ethynyl}benzonitrile

  • Molecular FormulaC27H27BN4
  • Average mass418.341 Da
  • Monoisotopic mass418.232880 Da
  • ChemSpider ID30652806

More details:

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

5-(1,3-Diethyl-1,3-dihydro-2H-1,3,2-benzodiazaborol-2-yl)-2-{[4-(dimethylamino)phenyl]ethinyl}benzonitril [German] [ACD/IUPAC Name]
5-(1,3-Diethyl-1,3-dihydro-2H-1,3,2-benzodiazaborol-2-yl)-2-{[4-(dimethylamino)phenyl]ethynyl}benzonitrile [ACD/IUPAC Name]
5-(1,3-Diéthyl-1,3-dihydro-2H-1,3,2-benzodiazaborol-2-yl)-2-{[4-(diméthylamino)phényl]éthynyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-(1,3-diethyl-1,3-dihydro-2H-1,3,2-benzodiazaborol-2-yl)-2-[2-[4-(dimethylamino)phenyl]ethynyl]- [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: 587.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.4±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#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: 34 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 353.4±5.0 cm3

Click to predict properties on the Chemicalize site


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