ChemSpider 2D Image | 5-({[4-(Dimethylamino)phenyl]amino}[2-heptanyl(4-isobutoxybenzyl)amino]methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione | C33H47N3O5

5-({[4-(Dimethylamino)phenyl]amino}[2-heptanyl(4-isobutoxybenzyl)amino]methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

  • Molecular FormulaC33H47N3O5
  • Average mass565.743 Da
  • Monoisotopic mass565.351563 Da
  • ChemSpider ID14258816

More details:

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

1,3-Dioxane-4,6-dione, 5-[[[4-(dimethylamino)phenyl]amino][(1-methylhexyl)[[4-(2-methylpropoxy)phenyl]methyl]amino]methylene]-2,2-dimethyl- [ACD/Index Name]
5-({[4-(Dimethylamino)phenyl]amino}[2-heptanyl(4-isobutoxybenzyl)amino]methylen)-2,2-dimethyl-1,3-dioxan-4,6-dion [German] [ACD/IUPAC Name]
5-({[4-(Dimethylamino)phenyl]amino}[2-heptanyl(4-isobutoxybenzyl)amino]methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione [ACD/IUPAC Name]
5-({[4-(Diméthylamino)phényl]amino}[2-heptanyl(4-isobutoxybenzyl)amino]méthylène)-2,2-diméthyl-1,3-dioxane-4,6-dione [French] [ACD/IUPAC 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: 690.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.5±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 164.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 10934.27
ACD/KOC (pH 5.5): 17591.53
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47686.59
ACD/KOC (pH 7.4): 76720.27
Polar Surface Area: 80 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 504.9±3.0 cm3

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