ChemSpider 2D Image | 2-[3,4-Diethoxy-5-(methylsulfanyl)phenyl]ethanamine | C13H21NO2S

2-[3,4-Diethoxy-5-(methylsulfanyl)phenyl]ethanamine

  • Molecular FormulaC13H21NO2S
  • Average mass255.376 Da
  • Monoisotopic mass255.129303 Da
  • ChemSpider ID23206360

More details:






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

2-[3,4-Diethoxy-5-(methylsulfanyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
2-[3,4-Diethoxy-5-(methylsulfanyl)phenyl]ethanamine [ACD/IUPAC Name]
2-[3,4-Diéthoxy-5-(méthylsulfanyl)phényl]éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3,4-diethoxy-5-(methylthio)- [ACD/Index Name]
2-(3,4-Diethoxy-5-methylsulfanyl-phenyl)-ethylamine
2-[3,4-Diethoxy-5-(methylsulfanyl)phenyl]ethan-1-amine
90132-47-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 366.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 175.7±27.9 °C
Index of Refraction: 1.548
Molar Refractivity: 74.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.46
Polar Surface Area: 70 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 234.0±5.0 cm3

Click to predict properties on the Chemicalize site






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