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Back ChemicalBook Home>CAS DataBase List>62-31-7More Spectrum> Dopamine hydrochloride(62-31-7) IR1

Dopamine hydrochloride(62-31-7) IR1

Molecular FormulaC8H12ClNO2

Molecular Weight189.64

InChIInChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H

InChIKey CTENFNNZBMHDDG-UHFFFAOYSA-N

SmilesNCCC1C=CC(O)=C(O)C=1.[H]Cl


  • Mass

    MS-IW-3765          
    4-(2-aminoethyl)pyrocatechol hydrochloride
    C8H11NO2 HCl        (Mass of molecular ion:    153)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          27.0       2.2
          28.0       3.9
          30.0      86.1
          31.0       1.8
          35.0       3.5
          36.0      26.0
          37.0       1.2
          38.0       9.1
          39.0       5.2
          40.0       1.3
          41.0       1.6
          42.0       1.4
          43.0       1.3
          50.0       2.4
          51.0      13.2
          52.0       2.6
          53.0       3.5
          55.0       2.3
          62.0       1.0
          63.0       2.1
          65.0       2.2
          66.0       1.8
          67.0       1.7
          76.0       1.0
          77.0      16.4
          78.0       7.3
          79.0       1.6
          89.0       1.0
          94.0       1.2
          95.0       1.0
         105.0       3.5
         106.0       3.4
         107.0       2.9
         123.0      38.2
         124.0     100.0
         125.0       7.7
         136.0       1.4
         153.0      21.7
         154.0       2.0
    

90 MHz in D2O

400 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C8 H11 N O2 0.036 g : 0.5 ml D2O
    4-(2-aminoethyl)pyrocatechol hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.92 B 6.87 C 6.787 E 3.250 F 2.91 THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

        626.25   6.993    338
        618.06   6.902   1000
        616.56   6.885    548
        614.75   6.865    802
        610.75   6.820    674
        608.69   6.797    370
        602.94   6.733    204
        600.63   6.707    162
        300.94   3.361    219
        299.13   3.340    245
        294.31   3.287    338
        292.06   3.262    722
        290.63   3.246    150
        290.25   3.241    147
        286.31   3.197    583
        267.13   2.983    356
        266.06   2.971    493
        259.81   2.901    567
        252.94   2.825    188
        252.81   2.823    188
        251.06   2.804    179
    


  • 1H NMR 399.65 MHz
    C8 H11 N O2 0.038 g : 0.5 ml DMSO-d6
    4-(2-aminoethyl)pyrocatechol hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 8.97 B *1 8.90 C 8.15 D 6.711 E 6.662 F 6.489 G 2.917 J 2.736

         Hz     ppm     Int.
    

       3586.88   8.976    519
       3578.34   8.954     33
       3563.54   8.917     31
       3556.06   8.898    532
       3256.07   8.148    480
       2686.46   6.723    824
       2683.11   6.714     43
       2682.19   6.712     42
       2678.38   6.702   1000
       2663.73   6.666    738
       2661.59   6.660    783
       2598.42   6.502    417
       2596.28   6.497    398
       2590.33   6.482    352
       2588.20   6.477    343
       1173.86   2.938    174
       1166.99   2.921    303
       1159.21   2.901    250
       1100.46   2.754    439
       1094.51   2.739    302
       1091.61   2.732    464
       1084.44   2.714    289
    

in D2O

in DMSO-d6





KBr disc



nujol mull





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