Found 126 results

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

Isobutyl 2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfinyl]butanoate

  • Molecular FormulaC20H31NO6S
  • Average mass413.528 Da
  • Monoisotopic mass413.187195 Da
  • ChemSpider ID59373457

More details:

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

2-[(2-{[2-(3,4-Diméthoxyphényl)éthyl]amino}-2-oxoéthyl)sulfinyl]butanoate d'isobutyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[2-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfinyl]-, 2-methylpropyl ester [ACD/Index Name]
Isobutyl 2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfinyl]butanoate [ACD/IUPAC Name]
Isobutyl-2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfinyl]butanoat [German] [ACD/IUPAC 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: 1.530
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): 2.17
ACD/BCF (pH 5.5): 26.24
ACD/KOC (pH 5.5): 360.78
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.24
ACD/KOC (pH 7.4): 360.78
Polar Surface Area: 110 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 355.0±3.0 cm3

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