ChemSpider 2D Image | 5-(Diethylamino)-2-{[(2-methoxyethyl)(2-thienylcarbonyl)amino]methyl}phenyl ethanesulfonate | C21H30N2O5S2

5-(Diethylamino)-2-{[(2-methoxyethyl)(2-thienylcarbonyl)amino]methyl}phenyl ethanesulfonate

  • Molecular FormulaC21H30N2O5S2
  • Average mass454.603 Da
  • Monoisotopic mass454.159607 Da
  • ChemSpider ID29243356

More details:

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

5-(Diethylamino)-2-{[(2-methoxyethyl)(2-thienylcarbonyl)amino]methyl}phenyl ethanesulfonate [ACD/IUPAC Name]
5-(Diethylamino)-2-{[(2-methoxyethyl)(2-thienylcarbonyl)amino]methyl}phenyl-ethansulfonat [German] [ACD/IUPAC Name]
Éthanesulfonate de 5-(diéthylamino)-2-{[(2-méthoxyéthyl)(2-thiénylcarbonyl)amino]méthyl}phényle [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 5-(diethylamino)-2-[[(2-methoxyethyl)(2-thienylcarbonyl)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: 631.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 120.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 160.53
ACD/KOC (pH 5.5): 1265.88
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 185.30
ACD/KOC (pH 7.4): 1461.21
Polar Surface Area: 113 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 366.8±3.0 cm3

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