ChemSpider 2D Image | tert-Butyl 1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate | C16H22N2O2

tert-Butyl 1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate

  • Molecular FormulaC16H22N2O2
  • Average mass274.358 Da
  • Monoisotopic mass274.168121 Da
  • ChemSpider ID23500751

More details:






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

1,3,3a,4,5,9b-Hexahydro-2H-pyrrolo[3,4-c]quinoléine-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2H-Pyrrolo[3,4-c]quinoline-2-carboxylic acid, 1,3,3a,4,5,9b-hexahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]chinolin-2-carboxylat [German] [ACD/IUPAC Name]
tert-Butyl 1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate
[1194375-23-9]
1194375-23-9 [RN]
1251017-31-8 [RN]
1422344-51-1 [RN]
2-Boc-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-43773]
    • Safety:

      20/21/22 Novochemy [NC-43773]
      20/21/36/37/39 Novochemy [NC-43773]
      GHS07; GHS09 Novochemy [NC-43773]
      H332; H403 Novochemy [NC-43773]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-43773]
      R52/1117 Novochemy [NC-43773]
      TBC SynQuest 4H56-1-0N0
      Warning Novochemy [NC-43773]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 392.7±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 191.3±27.6 °C
Index of Refraction: 1.545
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 146.66
ACD/KOC (pH 5.5): 1212.76
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.97
ACD/KOC (pH 7.4): 1297.98
Polar Surface Area: 42 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 244.8±3.0 cm3

Click to predict properties on the Chemicalize site






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