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Search term: LRYPRFGBZRIFIX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[4-Ethoxy-3-methoxy-5-(methylsulfanyl)phenyl]ethanamine | C12H19NO2S

2-[4-Ethoxy-3-methoxy-5-(methylsulfanyl)phenyl]ethanamine

  • Molecular FormulaC12H19NO2S
  • Average mass241.350 Da
  • Monoisotopic mass241.113647 Da
  • ChemSpider ID21106410

More details:

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

2-[4-Ethoxy-3-methoxy-5-(methylsulfanyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
2-[4-Ethoxy-3-methoxy-5-(methylsulfanyl)phenyl]ethanamine [ACD/IUPAC Name]
2-[4-Éthoxy-3-méthoxy-5-(méthylsulfanyl)phényl]éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-ethoxy-3-methoxy-5-(methylthio)- [ACD/Index Name]
2-(4-Ethoxy-3-methoxy-5-methylsulfanyl-phenyl)-ethylamine
2-[4-Ethoxy-3-methoxy-5-(methylsulfanyl)phenyl]ethan-1-amine
90132-37-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL330874/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 352.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 166.9±27.9 °C
Index of Refraction: 1.553
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.52
Polar Surface Area: 70 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 217.6±5.0 cm3

Click to predict properties on the Chemicalize site


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