ChemSpider 2D Image | (2S)-1-(5-Methoxy-1H-indol-3-yl)-2-propanamine | C12H16N2O

(2S)-1-(5-Methoxy-1H-indol-3-yl)-2-propanamine

  • Molecular FormulaC12H16N2O
  • Average mass204.268 Da
  • Monoisotopic mass204.126266 Da
  • ChemSpider ID28512321

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(5-Methoxy-1H-indol-3-yl)-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-(5-Methoxy-1H-indol-3-yl)-2-propanamine [ACD/IUPAC Name]
1H-Indole-3-ethanamine, 5-methoxy-α-methyl-, (αS)- [ACD/Index Name]
86138-19-4 [RN]
(2S)-1-(5-Méthoxy-1H-indol-3-yl)-2-propanamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 382.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 185.0±23.7 °C
Index of Refraction: 1.619
Molar Refractivity: 62.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 51 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 179.3±3.0 cm3

Click to predict properties on the Chemicalize site


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