ChemSpider 2D Image | 2-{2,5-Bis[(~2~H_3_)methyloxy]-4-(propylsulfanyl)phenyl}ethanamine | C13H15D6NO2S

2-{2,5-Bis[(2H3)methyloxy]-4-(propylsulfanyl)phenyl}ethanamine

  • Molecular FormulaC13H15D6NO2S
  • Average mass261.413 Da
  • Monoisotopic mass261.166962 Da
  • ChemSpider ID17254464

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{2,5-Bis[(2H3)methyloxy]-4-(propylsulfanyl)phenyl}ethanamin [German] [ACD/IUPAC Name]
2-{2,5-Bis[(2H3)methyloxy]-4-(propylsulfanyl)phenyl}ethanamine [ACD/IUPAC Name]
2-{2,5-Bis[(2H3)méthyloxy]-4-(propylsulfanyl)phényl}éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 2,5-bis(methyl-d3-oxy)-4-(propylthio)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 376.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 181.5±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: 2.92
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.17
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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