3731-52-0

3-氨甲基吡啶(3731-52-0)Raman光谱

产品名称:3-氨甲基吡啶

CAS:3731-52-0

分子式:C6H8N2

分子量: 108.14

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

InChIKey: HDOUGSFASVGDCS-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1CN

Mass

MS-NW-1087          
3-(aminomethyl)pyridine
C6H8N2              (Mass of molecular ion:    108)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.5
      26.0       1.4
      27.0       3.0
      28.0      12.1
      29.0       2.7
      30.0      25.6
      37.0       1.0
      38.0       2.2
      39.0       6.5
      40.0       1.2
      41.0       1.4
      50.0       4.0
      51.0       7.4
      52.0       8.9
      53.0       7.4
      54.0       2.7
      63.0       2.8
      64.0       3.3
      65.0       6.1
      78.0       4.2
      79.0      15.5
      80.0     100.0
      81.0       6.1
      91.0       3.1
      92.0       4.4
     105.0       1.5
     107.0      22.4
     108.0       9.6

90 MHz in CDCl3

parameter in DMSO-d6

¹H NMR	89.56 MHz
C₆ H₈ N₂	0.04 ml : 0.5 ml CDCl₃
3-(aminomethyl)pyridine

    Assign.     Shift(ppm)

      A             8.52
      B             7.663
      C             7.262
      D             3.893
      E             1.54

     Hz     ppm     Int.

    768.06   8.576    156
    767.31   8.568    165
    766.50   8.559    144
    765.75   8.551    178
    765.00   8.542    174
    764.19   8.533    155
    763.81   8.529    148
    762.00   8.509    141
    758.94   8.475    130
    757.25   8.456    133
    692.75   7.736     67
    691.00   7.716     95
    690.44   7.710     94
    684.94   7.648    101
    684.25   7.641     74
    683.94   7.637     76
    683.25   7.629    138
    682.63   7.623    136
    682.00   7.616     72
    680.94   7.604     90
    656.19   7.327    132
    655.25   7.317    128
    651.38   7.274    123
    650.50   7.264    117
    648.38   7.240     91
    647.44   7.230     87
    643.56   7.186     82
    642.69   7.177     76
    348.69   3.894    776
    138.31   1.545   1000

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

    Parameter     ppm  Hz

      D(A)         8.75
      D(B)         7.88
      D(C)         7.42
      D(D)         8.59
      D(E)         3.85
       J(A,B)          2.0
       J(A,C)          0.7
       J(A,D)          0.3
       J(A,E)          0.0
       J(B,C)          7.8
       J(B,D)          1.7
       J(B,E)          0.7
       J(C,D)          4.9
       J(C,E)          0.0
       J(D,E)          0.0
     
      D(F)         2.06
     
     BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
     66, 159 (1962)
     J(A,D) LESS THAN 0.3HZ.

     Hz     ppm     Int.

   2625.85   8.753    182
   2624.12   8.747    192
   2580.34   8.601    125
   2578.66   8.596    128
   2575.44   8.585    130
   2573.76   8.579    130
   2369.81   7.899     52
   2368.07   7.894     87
   2366.27   7.888     53
   2361.99   7.873     61
   2360.26   7.868     96
   2358.46   7.862     57
   2232.45   7.441     95
   2232.08   7.440     95
   2227.55   7.425     96
   2227.12   7.424     96
   2224.70   7.416     89
   2224.27   7.414     88
   2219.80   7.399     83
   2219.37   7.398     83
   1155.31   3.851    671
   1154.75   3.849    671
    617.98   2.060   1000

in CDCl3