ChemSpider 2D Image | 5-{[sec-Butyl(dodecanoyl)amino]methyl}-2-methoxyphenyl ethanesulfonate | C26H45NO5S

5-{[sec-Butyl(dodecanoyl)amino]methyl}-2-methoxyphenyl ethanesulfonate

  • Molecular FormulaC26H45NO5S
  • Average mass483.704 Da
  • Monoisotopic mass483.301849 Da
  • ChemSpider ID22572442

More details:

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

5-{[sec-Butyl(dodecanoyl)amino]methyl}-2-methoxyphenyl ethanesulfonate [ACD/IUPAC Name]
5-{[sec-Butyl(dodecanoyl)amino]methyl}-2-methoxyphenyl-ethansulfonat [German] [ACD/IUPAC Name]
Éthanesulfonate de 5-{[sec-butyl(dodecanoyl)amino]méthyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-methoxy-5-[[(1-methylpropyl)(1-oxododecyl)amino]methyl]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: 611.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.7±31.5 °C
Index of Refraction: 1.501
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 7.39
ACD/BCF (pH 5.5): 242075.95
ACD/KOC (pH 5.5): 248546.23
ACD/LogD (pH 7.4): 7.39
ACD/BCF (pH 7.4): 242076.22
ACD/KOC (pH 7.4): 248546.52
Polar Surface Area: 81 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 460.1±3.0 cm3

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