ChemSpider 2D Image | 2-[4-(Butylsulfanyl)-2,5-dimethoxyphenyl]ethanamine | C14H23NO2S

2-[4-(Butylsulfanyl)-2,5-dimethoxyphenyl]ethanamine

  • Molecular FormulaC14H23NO2S
  • Average mass269.403 Da
  • Monoisotopic mass269.144958 Da
  • ChemSpider ID21106235

More details:






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

2-[4-(Butylsulfanyl)-2,5-dimethoxyphenyl]ethanamin [German] [ACD/IUPAC Name]
2-[4-(Butylsulfanyl)-2,5-dimethoxyphenyl]ethanamine [ACD/IUPAC Name]
2-[4-(Butylsulfanyl)-2,5-diméthoxyphényl]éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-(butylthio)-2,5-dimethoxy- [ACD/Index Name]
207740-28-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 390.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 189.8±27.9 °C
Index of Refraction: 1.543
Molar Refractivity: 78.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 11.85
Polar Surface Area: 70 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 250.3±5.0 cm3

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