ChemSpider 2D Image | 3-(2-(Diethylamino)ethyl)-1H-indol-4-yl acetate | C16H22N2O2

3-(2-(Diethylamino)ethyl)-1H-indol-4-yl acetate

  • Molecular FormulaC16H22N2O2
  • Average mass274.358 Da
  • Monoisotopic mass274.168121 Da
  • ChemSpider ID21106239

More details:

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

1135424-15-5 [RN]
1H-Indol-4-ol, 3-[2-(diethylamino)ethyl]-, 4-acetate
1H-Indol-4-ol, 3-[2-(diethylamino)ethyl]-, acetate (ester) [ACD/Index Name]
3-(2-(Diethylamino)ethyl)-1H-indol-4-yl acetate
3-[2-(Diethylamino)ethyl]-1H-indol-4-yl acetate [ACD/IUPAC Name]
3-[2-(Diethylamino)ethyl]-1H-indol-4-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-[2-(diéthylamino)éthyl]-1H-indol-4-yle [French] [ACD/IUPAC Name]

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

43U8799479 [DBID]
UNII:43U8799479 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-07742]
    • Safety:

      20/21/22 Novochemy [NC-07742]
      20/21/36/37/39 Novochemy [NC-07742]
      GHS07; GHS09 Novochemy [NC-07742]
      H332; H403 Novochemy [NC-07742]
      P309+P311; P211; P242 Novochemy [NC-07742]
      R52/53 Novochemy [NC-07742]
      Warning Novochemy [NC-07742]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 429.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.4±25.9 °C
Index of Refraction: 1.579
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 45 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 245.6±3.0 cm3

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