ChemSpider 2D Image | 3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl 2-methylpropanoate | C16H22N2O2

3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl 2-methylpropanoate

  • Molecular FormulaC16H22N2O2
  • Average mass274.358 Da
  • Monoisotopic mass274.168121 Da
  • ChemSpider ID23195002

More details:

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

2-Méthylpropanoate de 3-[2-(diméthylamino)éthyl]-1H-indol-5-yle [French] [ACD/IUPAC Name]
3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl 2-methylpropanoate [ACD/IUPAC Name]
3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, 3-[2-(dimethylamino)ethyl]-1H-indol-5-yl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL327103/
Isobutyric acid 3-(2-dimethylamino-ethyl)-1H-indol-5-yl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 423.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 209.9±25.9 °C
Index of Refraction: 1.578
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.28
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): 1.00
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 12.17
Polar Surface Area: 45 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 246.0±3.0 cm3

Click to predict properties on the Chemicalize site


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