ChemSpider 2D Image | 2,5-dimethoxy-4-propylthiophenethylamine | C13H21NO2S

2,5-dimethoxy-4-propylthiophenethylamine

  • Molecular FormulaC13H21NO2S
  • Average mass255.376 Da
  • Monoisotopic mass255.129303 Da
  • ChemSpider ID21106233

More details:

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

2,5 Dimethoxy-4-(propylthio) phenethylamine
2,5-dimethoxy-4-n-propylthiophenethylamine
2,5-dimethoxy-4-propylthiophenethylamine
2-[2,5-Dimethoxy-4-(propylsulfanyl)phenyl]ethanamin [German] [ACD/IUPAC Name]
2-[2,5-Dimethoxy-4-(propylsulfanyl)phenyl]ethanamine [ACD/IUPAC Name]
2-[2,5-Diméthoxy-4-(propylsulfanyl)phényl]éthanamine [French] [ACD/IUPAC Name]
207740-26-9 [RN]
2C-T-7
Benzeneethanamine, 2,5-dimethoxy-4-(propylthio)- [ACD/Index Name]
2-(2,5-Dimethoxy-4-(propylthio)phenyl)ethanamine
More...

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

TJG366J9BA [DBID]
CCRIS 4693 [DBID]
UNII:TJG366J9BA [DBID]
UNII-TJG366J9BA [DBID]
  • Miscellaneous

    • Appearance:

      Not Available Novochemy [NC-34621]

    • Safety:

      20/21/22 Novochemy [NC-34621]
      20/21/36/37/39 Novochemy [NC-34621]
      GHS07; GHS09 Novochemy [NC-34621]
      H332; H403 Novochemy [NC-34621]
      P332+P313; P305+P351+P338 Novochemy [NC-34621]
      R52/53 Novochemy [NC-34621]
      Warning Novochemy [NC-34621]

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

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

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