ChemSpider 2D Image | 3-(7H-Indol-3-yl)-N-(~2~H_3_)methyl-L-alanine | C12H11D3N2O2

3-(7H-Indol-3-yl)-N-(2H3)methyl-L-alanine

  • Molecular FormulaC12H11D3N2O2
  • Average mass221.270 Da
  • Monoisotopic mass221.124359 Da
  • ChemSpider ID114552364

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3-(7H-Indol-3-yl)-N-(2H3)methyl-L-alanin [German] [ACD/IUPAC Name]
3-(7H-Indol-3-yl)-N-(2H3)methyl-L-alanine [ACD/IUPAC Name]
3-(7H-Indol-3-yl)-N-(2H3)méthyl-L-alanine [French] [ACD/IUPAC Name]
7H-Indole-3-propanoic acid, α-(methyl-d3-amino)-, (αS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 428.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±6.0 kJ/mol
Flash Point: 213.1±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 60.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 171.9±7.0 cm3

Click to predict properties on the Chemicalize site


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