ChemSpider 2D Image | 2-{[sec-Butyl(cyclobutylcarbonyl)amino]methyl}-5-(diethylamino)phenyl ethanesulfonate | C22H36N2O4S

2-{[sec-Butyl(cyclobutylcarbonyl)amino]methyl}-5-(diethylamino)phenyl ethanesulfonate

  • Molecular FormulaC22H36N2O4S
  • Average mass424.597 Da
  • Monoisotopic mass424.239563 Da
  • ChemSpider ID21544880

More details:

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

2-{[sec-Butyl(cyclobutylcarbonyl)amino]methyl}-5-(diethylamino)phenyl ethanesulfonate [ACD/IUPAC Name]
2-{[sec-Butyl(cyclobutylcarbonyl)amino]methyl}-5-(diethylamino)phenyl-ethansulfonat [German] [ACD/IUPAC Name]
Éthanesulfonate de 2-{[sec-butyl(cyclobutylcarbonyl)amino]méthyl}-5-(diéthylamino)phényle [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[[(cyclobutylcarbonyl)(1-methylpropyl)amino]methyl]-5-(diethylamino)phenyl ester [ACD/Index 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: 592.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 312.1±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 360.65
ACD/KOC (pH 5.5): 2252.48
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 420.83
ACD/KOC (pH 7.4): 2628.29
Polar Surface Area: 75 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 369.1±3.0 cm3

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