ChemSpider 2D Image | N-(3-Ethynylphenyl)-6,7-bis{[2-methoxy(~2~H_4_)ethyl]oxy}-4-quinazolinamine | C22H15D8N3O4

N-(3-Ethynylphenyl)-6,7-bis{[2-methoxy(2H4)ethyl]oxy}-4-quinazolinamine

  • Molecular FormulaC22H15D8N3O4
  • Average mass401.485 Da
  • Monoisotopic mass401.219055 Da
  • ChemSpider ID38236537

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis[(2-methoxyethyl-1,1,2,2-d4)oxy]- [ACD/Index Name]
N-(3-Ethinylphenyl)-6,7-bis{[2-methoxy(2H4)ethyl]oxy}-4-chinazolinamin [German] [ACD/IUPAC Name]
N-(3-Ethynylphenyl)-6,7-bis{[2-methoxy(2H4)ethyl]oxy}-4-quinazolinamine [ACD/IUPAC Name]
N-(3-Éthynylphényl)-6,7-bis{[2-méthoxy(2H4)éthyl]oxy}-4-quinazolinamine [French] [ACD/IUPAC Name]
183321-74-6 [RN]
Erlotinib, Free Base
MFCD07781272 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 60.33
ACD/KOC (pH 5.5): 536.51
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.07
ACD/KOC (pH 7.4): 1067.80
Polar Surface Area: 75 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 315.4±5.0 cm3

Click to predict properties on the Chemicalize site


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