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Back ChemicalBook Home>CAS DataBase List>462-08-8More Spectrum> 3-Aminopyridine(462-08-8) IR2

3-Aminopyridine(462-08-8) IR2

Product Name3-Aminopyridine

CAS462-08-8

Molecular FormulaC5H6N2

Molecular Weight94.11

InChIInChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2

InChIKey CUYKNJBYIJFRCU-UHFFFAOYSA-N

SmilesC1=NC=CC=C1N


  • Mass

    MS-NW-2299          
    3-pyridylamine
    C5H6N2              (Mass of molecular ion:     94)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          26.0       1.1
          28.0       7.6
          37.0       3.2
          38.0       6.6
          39.0      17.5
          40.0       8.7
          41.0      26.1
          42.0       1.9
          46.5       1.0
          50.0       1.7
          51.0       2.2
          52.0       2.4
          54.0       2.4
          64.0       1.4
          65.0       2.6
          66.0       9.5
          67.0      35.1
          68.0       3.8
          93.0      11.4
          94.0     100.0
          95.0       6.4
    

parameter in DMSO-d6

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C5 H6 N2 30 % in DMSO
    3-pyridylamine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.53 D(B) 7.26 D(C) 7.40 D(D) 8.23 J(A,B) 1.5 J(A,C) 1.5 J(A,D) 0.0 J(B,C) 7.9 J(B,D) 3.2 J(C,D) 2.8 D(E) 5.80 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)

         Hz     ppm     Int.
    

       2560.47   8.535    154
       2559.04   8.530    275
       2557.56   8.525    155
       2472.01   8.240    130
       2469.02   8.230    224
       2466.03   8.220    136
       2226.46   7.422     60
       2224.95   7.416     66
       2223.68   7.412     66
       2222.17   7.407     61
       2218.56   7.395     88
       2217.05   7.390     95
       2215.77   7.386     94
       2214.29   7.381     84
       2183.92   7.280     86
       2182.44   7.275     91
       2180.73   7.269     90
       2179.24   7.264     85
       2176.02   7.253     62
       2174.54   7.248     64
       2172.82   7.243     62
       2171.34   7.238     58
       1740.01   5.800   1000
    


  • 1H NMR 89.56 MHz
    C5 H6 N2 0.049 g : 0.5 ml CDCl3
    3-pyridylamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.08 B 7.99 C 7.030 D 6.966 E 3.89

         Hz     ppm     Int.
    

        725.00   8.096    431
        723.94   8.084    542
        722.31   8.066    406
        721.44   8.056    488
        718.94   8.028    394
        717.13   8.008    337
        714.69   7.981    498
        712.88   7.960    437
        638.81   7.133    155
        637.81   7.122    200
        634.63   7.087     81
        633.50   7.074    116
        630.63   7.042    705
        629.63   7.031    675
        626.63   6.997   1000
        625.31   6.983    767
        624.69   6.976    811
        624.06   6.969    718
        622.25   6.948    680
        618.50   6.906    154
        616.56   6.885    102
        615.88   6.877    182
        614.06   6.857    123
        347.81   3.884    426
    

in CDCl3



CCl4 solution



KBr disc



nujol mull



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