ChemSpider 2D Image | 4-(2-{4-[2-(~2~H_3_)Methyl(~2~H_6_)-2-propanyl](~2~H_4_)phenyl}ethoxy)quinazoline | C20H9D13N2O

4-(2-{4-[2-(2H3)Methyl(2H6)-2-propanyl](2H4)phenyl}ethoxy)quinazoline

  • Molecular FormulaC20H9D13N2O
  • Average mass319.482 Da
  • Monoisotopic mass319.254822 Da
  • ChemSpider ID128917679

  • Non-standard isotope - Non-standard isotope

More details:

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

4-(2-{4-[2-(2H3)Methyl(2H6)-2-propanyl](2H4)phenyl}ethoxy)chinazolin [German] [ACD/IUPAC Name]
4-(2-{4-[2-(2H3)Methyl(2H6)-2-propanyl](2H4)phenyl}ethoxy)quinazoline [ACD/IUPAC Name]
4-(2-{4-[2-(2H3)Méthyl(2H6)-2-propanyl](2H4)phényl}éthoxy)quinazoline [French] [ACD/IUPAC Name]
Quinazoline, 4-[2-[4-[1,1-di(methyl-d3)ethyl-2,2,2-d3]phenyl-2,3,5,6-d4]ethoxy]- [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: 461.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 165.1±15.6 °C
Index of Refraction: 1.595
Molar Refractivity: 94.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6098.25
ACD/KOC (pH 5.5): 17805.55
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6122.01
ACD/KOC (pH 7.4): 17874.94
Polar Surface Area: 35 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 277.9±3.0 cm3

Click to predict properties on the Chemicalize site


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