ChemSpider 2D Image | 2,4-Diisopropoxyphenyl 2-{[(2-{[2-(dimethylamino)ethyl](ethyl)amino}-2-oxoethyl)amino]methyl}isonicotinate | C27H40N4O5

2,4-Diisopropoxyphenyl 2-{[(2-{[2-(dimethylamino)ethyl](ethyl)amino}-2-oxoethyl)amino]methyl}isonicotinate

  • Molecular FormulaC27H40N4O5
  • Average mass500.630 Da
  • Monoisotopic mass500.299866 Da
  • ChemSpider ID115007053

More details:

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

2,4-Diisopropoxyphenyl 2-{[(2-{[2-(dimethylamino)ethyl](ethyl)amino}-2-oxoethyl)amino]methyl}isonicotinate [ACD/IUPAC Name]
2,4-Diisopropoxyphenyl-2-{[(2-{[2-(dimethylamino)ethyl](ethyl)amino}-2-oxoethyl)amino]methyl}isonicotinat [German] [ACD/IUPAC Name]
2-{[(2-{[2-(Diméthylamino)éthyl](éthyl)amino}-2-oxoéthyl)amino]méthyl}isonicotinate de 2,4-diisopropoxyphényle [French] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 2-[[[2-[[2-(dimethylamino)ethyl]ethylamino]-2-oxoethyl]amino]methyl]-, 2,4-bis(1-methylethoxy)phenyl ester [ACD/Index Name]
[2,4-di(propan-2-yloxy)phenyl] 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylate
2410512-38-6 [RN]
2863635-05-4 [RN]
JQKD82
JQKD82 dihydrochloride

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

Density: 1.1±0.1 g/cm3
Boiling Point: 652.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.7±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 10.76
ACD/KOC (pH 7.4): 92.91
Polar Surface Area: 93 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 449.7±3.0 cm3

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