ChemSpider 2D Image | tert-Butyl 5-(benzyloxy)-3-(hydroxymethyl)-1H-indole-1-carboxylate | C21H23NO4

tert-Butyl 5-(benzyloxy)-3-(hydroxymethyl)-1H-indole-1-carboxylate

  • Molecular FormulaC21H23NO4
  • Average mass353.412 Da
  • Monoisotopic mass353.162720 Da
  • ChemSpider ID21474157

More details:

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

1,1-Dimethylethyl 3-(hydroxymethyl)-5-(phenylmethoxy)-1H-indole-1-carboxylate
1H-Indole-1-carboxylic acid, 3-(hydroxymethyl)-5-(phenylmethoxy)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-(benzyloxy)-3-(hydroxymethyl)-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-(benzyloxy)-3-(hydroxymethyl)-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
5-(Benzyloxy)-3-(hydroxyméthyl)-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
914349-14-7 [RN]
tert-Butyl 5-(benzyloxy)-3-(hydroxymethyl)-1H-indole-1-carboxylate
1H-Indole-1-carboxylicacid, 3-(hydroxymethyl)-5-(phenylmethoxy)-, 1,1-dimethylethyl ester

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-21073]
    • Safety:

      20/21/22 Novochemy [NC-21073]
      20/21/36/37/39 Novochemy [NC-21073]
      GHS07; GHS09 Novochemy [NC-21073]
      H304; H332 Novochemy [NC-21073]
      IRRITANT Matrix Scientific 071741
      Irritant SynQuest 4H56-1-A2, 65975
      P301+P310; P337+P313 Novochemy [NC-21073]
      R22 Novochemy [NC-21073]
      Warning Novochemy [NC-21073]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 524.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.3±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 100.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 609.34
ACD/KOC (pH 5.5): 3427.73
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 609.34
ACD/KOC (pH 7.4): 3427.73
Polar Surface Area: 61 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 306.1±7.0 cm3

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