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Search term: 78435476 (Found by CSID)
ChemSpider 2D Image | (3E)-2-Methyl-4-{3-[2-(methylamino)ethyl]-1H-indol-4-yl}-3-buten-2-ol | C16H22N2O

(3E)-2-Methyl-4-{3-[2-(methylamino)ethyl]-1H-indol-4-yl}-3-buten-2-ol

  • Molecular FormulaC16H22N2O
  • Average mass258.359 Da
  • Monoisotopic mass258.173218 Da
  • ChemSpider ID78435476

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-2-Methyl-4-{3-[2-(methylamino)ethyl]-1H-indol-4-yl}-3-buten-2-ol [German] [ACD/IUPAC Name]
(3E)-2-Methyl-4-{3-[2-(methylamino)ethyl]-1H-indol-4-yl}-3-buten-2-ol [ACD/IUPAC Name]
(3E)-2-Méthyl-4-{3-[2-(méthylamino)éthyl]-1H-indol-4-yl}-3-butén-2-ol [French] [ACD/IUPAC Name]
3-Buten-2-ol, 2-methyl-4-[3-[2-(methylamino)ethyl]-1H-indol-4-yl]-, (3E)- [ACD/Index Name]
Ergotryptamine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 470.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 238.5±27.3 °C
Index of Refraction: 1.636
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 48 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 231.6±3.0 cm3

Click to predict properties on the Chemicalize site


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