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Back ChemicalBook Home>CAS DataBase List>5003-71-4More Spectrum> 3-Bromopropylamine hydrobromide (5003-71-4) IR1

3-Bromopropylamine hydrobromide (5003-71-4) IR1

Molecular FormulaC3H9Br2N

Molecular Weight218.92

InChIInChI=1S/C3H8BrN.BrH/c4-2-1-3-5;/h1-3,5H2;1H

InChIKey PQIYSSSTRHVOBW-UHFFFAOYSA-N

SmilesC(CBr)CN.Br


  • Mass

    MS-NW-6822          
    3-bromopropylamine hydrobromide
    C3H8BrN HBr         (Mass of molecular ion:    137)
    

       Source Temperature: 210 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          26.0       1.1
          27.0       3.1
          28.0       7.3
          29.0       1.7
          30.0     100.0
          31.0       1.8
          39.0       1.6
          41.0       2.6
          42.0       1.2
          43.0       1.4
          56.0       3.1
          58.0      10.2
          79.0       5.8
          80.0      16.2
          81.0       5.7
          82.0      15.8
         109.0       1.3
         111.0       1.2
         137.0       1.2
         139.0       1.2
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C3 H8 Br N 0.038 g : 0.5 ml DMSO-d6
    3-bromopropylamine hydrobromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.0 B 3.628 C 2.917 D 2.131

         Hz     ppm     Int.
    

       3187.01   7.975    137
       1456.91   3.646    486
       1450.32   3.629   1000
       1447.02   3.621     60
       1443.73   3.613    513
       1182.01   2.958     32
       1176.15   2.943    124
       1169.31   2.926    210
       1163.09   2.911    211
       1155.88   2.893    134
       1149.90   2.878     37
        865.84   2.167    115
        859.25   2.151    324
        856.08   2.143     66
        851.56   2.131    362
        848.02   2.122     66
        844.60   2.114    311
        840.45   2.103     23
        837.89   2.097    103
    

in DMSO-d6



KBr disc



nujol mull





3-Bromopropylamine hydrobromide (5003-71-4) IR1 Atlas of Related Products

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