Found 126 results

Search term: MF = 'C_{20}H_{31}NO_{6}S'
ChemSpider 2D Image | Ethyl 2-[(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfinyl]-2-methylpropanoate | C20H31NO6S

Ethyl 2-[(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfinyl]-2-methylpropanoate

  • Molecular FormulaC20H31NO6S
  • Average mass413.528 Da
  • Monoisotopic mass413.187195 Da
  • ChemSpider ID59372239

More details:

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

2-[(2-{[2-(3,4-Diéthoxyphényl)éthyl]amino}-2-oxoéthyl)sulfinyl]-2-méthylpropanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-[(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfinyl]-2-methylpropanoate [ACD/IUPAC Name]
Ethyl-2-[(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfinyl]-2-methylpropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[[2-[[2-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfinyl]-2-methyl-, ethyl 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: 625.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 331.8±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.03
ACD/KOC (pH 5.5): 387.93
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.03
ACD/KOC (pH 7.4): 387.93
Polar Surface Area: 110 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 354.3±3.0 cm3

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