ChemSpider 2D Image | 4,4',4''-Methanetriyltribenzonitrile | C22H13N3

4,4',4''-Methanetriyltribenzonitrile

  • Molecular FormulaC22H13N3
  • Average mass319.359 Da
  • Monoisotopic mass319.110962 Da
  • ChemSpider ID21613235

More details:






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

113402-31-6 [RN]
4,4',4"-methylidenetrisbenzonitrile; (Impurity of Letrozole)
4,4',4''-Methanetriyltribenzonitrile [ACD/IUPAC Name]
4,4',4''-Méthanetriyltribenzonitrile [French] [ACD/IUPAC Name]
4,4',4''-Methantriyltribenzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4,4',4''-methylidynetris- [ACD/Index Name]
(4,4-dimethoxycyclohexa-1,5-dien-1-yl)-phenyl-methanone
(Impurity of Letrozole)
[113402-31-6]
1089283-49-7 [RN]
More...

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

95R62HNG30 [DBID]
UNII:95R62HNG30 [DBID]
UNII-95R62HNG30 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 545.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 262.2±24.0 °C
Index of Refraction: 1.661
Molar Refractivity: 94.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 638.80
ACD/KOC (pH 5.5): 3545.52
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 638.80
ACD/KOC (pH 7.4): 3545.52
Polar Surface Area: 71 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 255.7±5.0 cm3

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