3731-51-9

2-氨甲基吡啶(3731-51-9)核磁图(¹HNMR)

产品名称:2-氨甲基吡啶

CAS:3731-51-9

分子式:C6H8N2

分子量: 108.14

InChI:InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2

InChIKey: WOXFMYVTSLAQMO-UHFFFAOYSA-N

Smiles:C1(CN)=NC=CC=C1

Mass

MS-NW-5719          
2-(aminomethyl)pyridine
C6H8N2              (Mass of molecular ion:    108)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       3.4
      26.0       3.1
      27.0       7.4
      28.0      14.6
      29.0       2.6
      30.0      57.9
      31.0       1.0
      37.0       1.8
      38.0       3.1
      39.0       7.6
      40.0       1.4
      41.0       1.7
      49.0       1.6
      50.0       8.0
      51.0      15.1
      52.0      29.3
      53.0      17.4
      54.0       2.5
      62.0       1.2
      63.0       2.4
      64.0       1.9
      65.0       4.5
      66.0       1.0
      75.0       1.2
      76.0       1.7
      77.0       1.9
      78.0      12.5
      79.0      70.2
      80.0     100.0
      81.0       6.1
      92.0       2.3
      93.0       3.3
     104.0       3.6
     105.0       4.8
     107.0      49.1
     108.0      83.3
     109.0       6.3
     195.0       1.1

parameter in DMSO-d6

¹H NMR	300 MHz
C₆ H₈ N₂	30 % in DMSO
2-(aminomethyl)pyridine

    Parameter     ppm  Hz

      D(A)         8.64
      D(B)         7.29
      D(C)         7.82
      D(D)         7.58
      D(E)         3.94
       J(A,B)          5.0
       J(A,C)          2.1
       J(A,D)          0.8
       J(A,E)          0.0
       J(B,C)          7.7
       J(B,D)          1.2
       J(B,E)          0.5
       J(C,D)          8.0
       J(C,E)          0.0
       J(D,E)          0.5
     
      D(F)         2.08
     
     BRUEGEL,W. Z.ELEKTROCHEM.BER.BUNSENGES.PHYS.CHEM.
     66, 159 (1962)

     Hz     ppm     Int.

   2595.89   8.653     88
   2595.22   8.651     93
   2593.89   8.646     96
   2593.22   8.644     94
   2590.91   8.636     94
   2590.24   8.634     97
   2588.90   8.630     95
   2588.17   8.627     89
   2355.22   7.851     57
   2353.16   7.844     57
   2347.38   7.825    123
   2345.31   7.818    118
   2339.54   7.798     79
   2337.47   7.792     77
   2277.96   7.593    130
   2269.75   7.566    107
   2193.27   7.311     66
   2187.68   7.292     71
   2186.16   7.287     68
   2181.06   7.270     59
   2180.63   7.269     59
   1182.08   3.940    758
    624.02   2.080   1000

in CDCl3