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Search term: BFYPWSIBJDQYLF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Ethynyl-1-methyl-1H-indole | C11H9N

3-Ethynyl-1-methyl-1H-indole

  • Molecular FormulaC11H9N
  • Average mass155.196 Da
  • Monoisotopic mass155.073502 Da
  • ChemSpider ID24206844

More details:

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

1H-Indole, 3-ethynyl-1-methyl- [ACD/Index Name]
3-Ethinyl-1-methyl-1H-indol [German] [ACD/IUPAC Name]
3-Ethynyl-1-methyl-1H-indole [ACD/IUPAC Name]
3-Éthynyl-1-méthyl-1H-indole [French] [ACD/IUPAC Name]
85094-88-8 [RN]
1H-Indole, 3-ethynyl-1-methyl- (9CI)
1H-INDOLE,3-ETHYNYL-1-METHYL-
1-methyl-3-ethynylindole
3-ETHYNYL-1-METHYLINDOLE
3-ethynyl-N-methylindole
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 287.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.6±3.0 kJ/mol
Flash Point: 127.9±19.8 °C
Index of Refraction: 1.553
Molar Refractivity: 51.7±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.97
ACD/KOC (pH 5.5): 772.28
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.97
ACD/KOC (pH 7.4): 772.28
Polar Surface Area: 5 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 33.4±7.0 dyne/cm
Molar Volume: 161.6±7.0 cm3

Click to predict properties on the Chemicalize site


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