ChemSpider 2D Image | 1-(4-ethynyl-2,5-dimethoxyphenyl)-2-aminoethane | C12H15NO2

1-(4-ethynyl-2,5-dimethoxyphenyl)-2-aminoethane

  • Molecular FormulaC12H15NO2
  • Average mass205.253 Da
  • Monoisotopic mass205.110275 Da
  • ChemSpider ID26234934

More details:






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

1-(4-ethynyl-2,5-dimethoxyphenyl)-2-aminoethane
2-(4-Ethinyl-2,5-dimethoxyphenyl)ethanamin [German] [ACD/IUPAC Name]
2-(4-Ethynyl-2,5-dimethoxyphenyl)ethanamine [ACD/IUPAC Name]
2-(4-Éthynyl-2,5-diméthoxyphényl)éthanamine [French] [ACD/IUPAC Name]
2,5-DIMETHOXY-4-ETHYNYLPHENETHYLAMINE
2C-YN [Wiki]
Benzeneethanamine, 4-ethynyl-2,5-dimethoxy- [ACD/Index Name]
5L67256F94
752982-24-4 [RN]
UNII:5L67256F94
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 337.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 172.7±35.2 °C
Index of Refraction: 1.543
Molar Refractivity: 59.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.64
Polar Surface Area: 44 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 188.6±5.0 cm3

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