Found 364 results

Search term: MF = 'C_{23}H_{31}NO_{6}S'
ChemSpider 2D Image | 2-{[(3,3-Dimethylbutanoyl)(2-methoxyethyl)amino]methyl}phenyl 4-methoxybenzenesulfonate | C23H31NO6S

2-{[(3,3-Dimethylbutanoyl)(2-methoxyethyl)amino]methyl}phenyl 4-methoxybenzenesulfonate

  • Molecular FormulaC23H31NO6S
  • Average mass449.560 Da
  • Monoisotopic mass449.187195 Da
  • ChemSpider ID21544275

More details:

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

2-{[(3,3-Dimethylbutanoyl)(2-methoxyethyl)amino]methyl}phenyl 4-methoxybenzenesulfonate [ACD/IUPAC Name]
2-{[(3,3-Dimethylbutanoyl)(2-methoxyethyl)amino]methyl}phenyl-4-methoxybenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthoxybenzènesulfonate de 2-{[(3,3-diméthylbutanoyl)(2-méthoxyéthyl)amino]méthyl}phényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-methoxy-, 2-[[(3,3-dimethyl-1-oxobutyl)(2-methoxyethyl)amino]methyl]phenyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 598.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.5±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 567.72
ACD/KOC (pH 5.5): 3258.46
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 567.72
ACD/KOC (pH 7.4): 3258.46
Polar Surface Area: 91 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 382.8±3.0 cm3

Click to predict properties on the Chemicalize site


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