ChemSpider 2D Image | 1-Boc-6-Cyanoindole | C14H14N2O2

1-Boc-6-Cyanoindole

  • Molecular FormulaC14H14N2O2
  • Average mass242.273 Da
  • Monoisotopic mass242.105530 Da
  • ChemSpider ID21474355

More details:






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

1-Boc-6-Cyanoindole
1H-Indole-1-carboxylic acid, 6-cyano-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-cyano-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-cyan-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
6-Cyano-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
889676-34-0 [RN]
[889676-34-0] [RN]
1H-Indole-1-carboxylicacid,6-cyano-,1,1-dimethylethyl ester
6-Cyano-1H-indole N-BOC protected
6-Cyano-1H-indole, N-BOC protected
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 386.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 187.5±25.7 °C
Index of Refraction: 1.565
Molar Refractivity: 70.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 222.36
ACD/KOC (pH 5.5): 1665.85
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 222.36
ACD/KOC (pH 7.4): 1665.85
Polar Surface Area: 55 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 215.1±7.0 cm3

Click to predict properties on the Chemicalize site






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