ChemSpider 2D Image | 4-{[(2-Furylmethyl)(octanoyl)amino]methyl}phenyl ethanesulfonate | C22H31NO5S

4-{[(2-Furylmethyl)(octanoyl)amino]methyl}phenyl ethanesulfonate

  • Molecular FormulaC22H31NO5S
  • Average mass421.550 Da
  • Monoisotopic mass421.192291 Da
  • ChemSpider ID22572258

More details:

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

4-{[(2-Furylmethyl)(octanoyl)amino]methyl}phenyl ethanesulfonate [ACD/IUPAC Name]
4-{[(2-Furylmethyl)(octanoyl)amino]methyl}phenyl-ethansulfonat [German] [ACD/IUPAC Name]
Éthanesulfonate de 4-{[(2-furylméthyl)(octanoyl)amino]méthyl}phényle [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 4-[[(2-furanylmethyl)(1-oxooctyl)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: 582.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8958.49
ACD/KOC (pH 5.5): 23474.68
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8958.50
ACD/KOC (pH 7.4): 23474.68
Polar Surface Area: 85 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 363.7±3.0 cm3

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