ChemSpider 2D Image | Bis[(5-ethyl-2-pyridinyl)methyl] 4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C29H33N3O6

Bis[(5-ethyl-2-pyridinyl)methyl] 4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC29H33N3O6
  • Average mass519.589 Da
  • Monoisotopic mass519.236938 Da
  • ChemSpider ID115752

More details:






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

3,5-Pyridinedicarboxylic acid, 4-(5,6-dihydro-1,4-dioxin-2-yl)-1,4-dihydro-2,6-dimethyl-, bis((5-ethyl-2-pyridinyl)methyl) ester
3,5-Pyridinedicarboxylic acid, 4-(5,6-dihydro-1,4-dioxin-2-yl)-1,4-dihydro-2,6-dimethyl-, bis[(5-ethyl-2-pyridinyl)methyl] ester [ACD/Index Name]
4-(5,6-Dihydro-1,4-dioxin-2-yl)-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de bis[(5-éthyl-2-pyridinyl)méthyle] [French] [ACD/IUPAC Name]
Bis[(5-ethyl-2-pyridinyl)methyl] 4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Bis[(5-ethyl-2-pyridinyl)methyl]-4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
126444-11-9 [RN]
Bis[(5-ethylpyridin-2-yl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Bis[2-(5-ethylpyridyl)methyl]4-[2-(5,6-dihydro-p-dioxin yl)]-2, 6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Bis[2-(5-ethylpyridyl)methyl]4-[2-(5,6-dihydro-p-dioxin yl)]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

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

NCI60_017508 [DBID]
NK 252 [DBID]
NK-252 [DBID]
NSC650212 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 661.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.1±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 140.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1423.20
ACD/KOC (pH 5.5): 6224.91
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1476.22
ACD/KOC (pH 7.4): 6456.82
Polar Surface Area: 109 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 423.2±3.0 cm3

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