ChemSpider 2D Image | Allylescaline | C12H17NO3

Allylescaline

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID52084790

More details:

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

2-[3,5-Dimethoxy-4-(vinyloxy)phenyl]ethanamin [German] [ACD/IUPAC Name]
2-[3,5-Dimethoxy-4-(vinyloxy)phenyl]ethanamine [ACD/IUPAC Name]
2-[3,5-Diméthoxy-4-(vinyloxy)phényl]éthanamine [French] [ACD/IUPAC Name]
39201-75-7 [RN]
Allylescaline [Wiki]
Benzeneethanamine, 4-(ethenyloxy)-3,5-dimethoxy- [ACD/Index Name]
J39IWS08EN
UNII:J39IWS08EN

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

Density: 1.1±0.1 g/cm3
Boiling Point: 358.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 180.4±21.6 °C
Index of Refraction: 1.520
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.43
Polar Surface Area: 54 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 209.5±3.0 cm3

Click to predict properties on the Chemicalize site


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