ChemSpider 2D Image | 2-[3,5-Dimethoxy-4-(2-propyn-1-yloxy)phenyl]ethanamine | C13H17NO3

2-[3,5-Dimethoxy-4-(2-propyn-1-yloxy)phenyl]ethanamine

  • Molecular FormulaC13H17NO3
  • Average mass235.279 Da
  • Monoisotopic mass235.120850 Da
  • ChemSpider ID21106371

More details:






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

2-[3,5-Dimethoxy-4-(2-propin-1-yloxy)phenyl]ethanamin [German] [ACD/IUPAC Name]
2-[3,5-Dimethoxy-4-(2-propyn-1-yloxy)phenyl]ethanamine [ACD/IUPAC Name]
2-[3,5-Diméthoxy-4-(2-propyn-1-yloxy)phényl]éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3,5-dimethoxy-4-(2-propyn-1-yloxy)- [ACD/Index Name]
2-{3,5-Dimethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}ethan-1-amine
952017-05-9 [RN]
PROPYNYL (PSYCHEDELIC)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 357.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 176.2±21.6 °C
Index of Refraction: 1.531
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 214.7±3.0 cm3

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