ChemSpider 2D Image | N-methyl-4-dimethylalyltryptophan | C17H22N2O2

N-methyl-4-dimethylalyltryptophan

  • Molecular FormulaC17H22N2O2
  • Average mass286.369 Da
  • Monoisotopic mass286.168121 Da
  • ChemSpider ID24777548

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

75917-16-7 [RN]
L-Tryptophan, N-methyl-4-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
N-Methyl-4-(3-methyl-2-buten-1-yl)-L-tryptophan [German] [ACD/IUPAC Name]
N-Methyl-4-(3-methyl-2-buten-1-yl)-L-tryptophan [ACD/IUPAC Name]
N-Méthyl-4-(3-méthyl-2-butén-1-yl)-L-tryptophane [French] [ACD/IUPAC Name]
N-methyl-4-dimethylallyltryptophan
N-methyl-4-dimethylalyltryptophan
(2S)-2-(methylaminio)-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate
(2S)-2-(methylazaniumyl)-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate
4-(3-methylbut-2-enyl)-L-abrine
More...

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

T637D9LW5H [DBID]
UNII:T637D9LW5H [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 488.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 249.3±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.09
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.08
Polar Surface Area: 65 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 247.3±3.0 cm3

Click to predict properties on the Chemicalize site


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