ChemSpider 2D Image | 6-aminomethyl-indole-1-carboxylic acid tert-butyl ester | C14H18N2O2

6-aminomethyl-indole-1-carboxylic acid tert-butyl ester

  • Molecular FormulaC14H18N2O2
  • Average mass246.305 Da
  • Monoisotopic mass246.136826 Da
  • ChemSpider ID26457840

More details:






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

1,1-Dimethylethyl 6-(aminomethyl)-1H-indole-1-carboxylate
1H-Indole-1-carboxylic acid, 6-(aminomethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-(aminomethyl)-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-(aminomethyl)-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
6-(Aminométhyl)-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
6-aminomethyl-indole-1-carboxylic acid tert-butyl ester
887584-21-6 [RN]
1h-indole-1-carboxylic acid,6-(aminomethyl)-,1,1-dimethylethyl ester
1H-INDOLE-1-CARBOXYLICACID, 6-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTER
6-Aminomethyl-1H-indol-1-carboxylic acid tert-butyl ester
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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: 383.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 185.7±25.7 °C
Index of Refraction: 1.565
Molar Refractivity: 70.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.15
Polar Surface Area: 57 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 215.1±7.0 cm3

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