ChemSpider 2D Image | 3-{2-[Ethyl(methyl)amino](~2~H_4_)ethyl}-1H-indol-4-ol | C13H14D4N2O

3-{2-[Ethyl(methyl)amino](2H4)ethyl}-1H-indol-4-ol

  • Molecular FormulaC13H14D4N2O
  • Average mass222.320 Da
  • Monoisotopic mass222.167023 Da
  • ChemSpider ID58794124
  • Non-standard isotope - Non-standard isotope


More details:






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

1H-Indol-4-ol, 3-[2-(ethylmethylamino)ethyl-1,1,2,2-d4]- [ACD/Index Name]
3-{2-[Ethyl(methyl)amino](2H4)ethyl}-1H-indol-4-ol [German] [ACD/IUPAC Name]
3-{2-[Ethyl(methyl)amino](2H4)ethyl}-1H-indol-4-ol [ACD/IUPAC Name]
3-{2-[Éthyl(méthyl)amino](2H4)éthyl}-1H-indol-4-ol [French] [ACD/IUPAC Name]
1794759-76-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 403.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 197.6±25.9 °C
Index of Refraction: 1.630
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.10
Polar Surface Area: 39 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 189.9±3.0 cm3

Click to predict properties on the Chemicalize site






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