ChemSpider 2D Image | 4-{2-[(2-Methyl-2-propanyl)amino]-1-[(methylsulfonyl)oxy]ethyl}-1,2-phenylene bis(4-methylbenzoate) | C29H33NO7S

4-{2-[(2-Methyl-2-propanyl)amino]-1-[(methylsulfonyl)oxy]ethyl}-1,2-phenylene bis(4-methylbenzoate)

  • Molecular FormulaC29H33NO7S
  • Average mass539.640 Da
  • Monoisotopic mass539.197754 Da
  • ChemSpider ID166761

More details:






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

4-{2-[(2-Methyl-2-propanyl)amino]-1-[(methylsulfonyl)oxy]ethyl}-1,2-phenylen-bis(4-methylbenzoat) [German] [ACD/IUPAC Name]
4-{2-[(2-Methyl-2-propanyl)amino]-1-[(methylsulfonyl)oxy]ethyl}-1,2-phenylene bis(4-methylbenzoate) [ACD/IUPAC Name]
Benzoic acid, 4-methyl-, 4-[2-[(1,1-dimethylethyl)amino]-1-[(methylsulfonyl)oxy]ethyl]-1,2-phenylene ester [ACD/Index Name]
Bis(4-méthylbenzoate) de 4-{2-[(2-méthyl-2-propanyl)amino]-1-[(méthylsulfonyl)oxy]éthyl}-1,2-phénylène [French] [ACD/IUPAC Name]
((TERT-BUTYLAMINO)METHYL)-3,4-DIHYDROXYBENZYL ALCOHOL-3,4-DI(4-TOLUATE)METHANESULFONATE
[5-[2-(tert-butylamino)-1-methylsulfonyloxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
4-(2-(tert-Butylamino)-1-((methylsulfonyl)oxy)ethyl)-1,2-phenylene bis(4-methylbenzoate)
76741-89-4 [RN]
Benzoic acid, 4-methyl-, 4-(2-((1,1-dimethylethyl)amino)-1-((methylsulfonyl)oxy)ethyl)-1,2-phenylene ester
α-((tert-Butylamino)methyl)-3,4-dihydroxybenzyl alcohol-3,4-di(4-toluate)methanesulfonate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 717.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.9±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 145.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 14.09
ACD/KOC (pH 5.5): 41.04
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 658.28
ACD/KOC (pH 7.4): 1917.23
Polar Surface Area: 116 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 441.2±3.0 cm3

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