ChemSpider 2D Image | 1-(1H-Indol-3-yl)-3-methyl-2,3-butanediol | C13H17NO2

1-(1H-Indol-3-yl)-3-methyl-2,3-butanediol

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID28719056

More details:

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

(+)-1-(1H-Indol-3-yl)-3-methyl-2,3-butanediol
1-(1H-Indol-3-yl)-3-methyl-2,3-butandiol [German] [ACD/IUPAC Name]
1-(1H-Indol-3-yl)-3-methyl-2,3-butanediol [ACD/IUPAC Name]
1-(1H-Indol-3-yl)-3-méthyl-2,3-butanediol [French] [ACD/IUPAC Name]
106449-15-4 [RN]
2,3-Butanediol, 1-(1H-indol-3-yl)-3-methyl- [ACD/Index Name]
1-(1H-Indol-3-yl)-3-methyl-2,3-butanediol, 9CI
1-(1H-indol-3-yl)-3-methylbutane-2,3-diol
Tanakine

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 452.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 227.3±24.6 °C
Index of Refraction: 1.643
Molar Refractivity: 65.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 8.03
ACD/KOC (pH 5.5): 154.55
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 8.03
ACD/KOC (pH 7.4): 154.55
Polar Surface Area: 56 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 179.6±3.0 cm3

Click to predict properties on the Chemicalize site


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