ChemSpider 2D Image | (Z)-{2-[Benzyl(phenyl)amino]ethoxy}[5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-3(4H)-pyridinylidene]methanol | C34H38N3O7P

(Z)-{2-[Benzyl(phenyl)amino]ethoxy}[5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-3(4H)-pyridinylidene]methanol

  • Molecular FormulaC34H38N3O7P
  • Average mass631.655 Da
  • Monoisotopic mass631.244751 Da
  • ChemSpider ID95740324

More details:

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

(Z)-{2-[Benzyl(phenyl)amino]ethoxy}[5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-3(4H)-pyridinyliden]methanol [German] [ACD/IUPAC Name]
(Z)-{2-[Benzyl(phenyl)amino]ethoxy}[5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-3(4H)-pyridinylidene]methanol [ACD/IUPAC Name]
(Z)-{2-[Benzyl(phényl)amino]éthoxy}[5-(5,5-diméthyl-2-oxydo-1,3,2-dioxaphosphinan-2-yl)-2,6-diméthyl-4-(3-nitrophényl)-3(4H)-pyridinylidène]méthanol [French] [ACD/IUPAC Name]
Methanol, 1-[5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-3(4H)-pyridinylidene]-1-[2-[phenyl(phenylmethyl)amino]ethoxy]-, (Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 730.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 395.8±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 171.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23365.22
ACD/KOC (pH 5.5): 45528.79
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 20746.08
ACD/KOC (pH 7.4): 40425.21
Polar Surface Area: 136 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 493.4±7.0 cm3

Click to predict properties on the Chemicalize site


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