5407-04-5

N,N-二甲氨基氯丙烷盐酸盐(5407-04-5)红外图谱(IR2)

产品名称:N,N-二甲氨基氯丙烷盐酸盐

CAS:5407-04-5

分子式:C5H13Cl2N

分子量: 158.07

InChI:InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H

InChIKey: LJQNMDZRCXJETK-UHFFFAOYSA-N

Smiles:C(CCCl)N(C)C.Cl

Mass

MS-NW-6312          
3-chloro-N,N-dimethylpropylamine hydrochloride
C5H12ClN HCl        (Mass of molecular ion:    121)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       4.0
      18.0       1.3
      27.0       2.1
      28.0       2.0
      29.0       1.6
      30.0       5.3
      35.0       2.1
      36.0      15.5
      38.0       5.1
      39.0       2.0
      41.0       3.3
      42.0       9.8
      43.0       2.4
      44.0       5.4
      56.0       1.8
      57.0       1.9
      58.0     100.0
      59.0       4.0
      70.0       1.2
      71.0       1.5
      84.0       1.7
      85.0       1.2
     121.0       4.9
     123.0       1.7

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₂ Cl N	0.047 g : 0.5 ml CDCl₃
3-chloro-N,N-dimethylpropylamine hydrochloride

    Assign.     Shift(ppm)

      A             3.739
      B             3.52
      C             3.319
      D             2.931
      E             2.385

     Hz     ppm     Int.

   1500.49   3.755    203
   1494.38   3.740    272
   1488.16   3.724    196
   1407.35   3.522    164
   1336.67   3.345     75
   1331.30   3.332    107
   1328.86   3.326     80
   1325.44   3.317     75
   1323.49   3.312     80
   1320.80   3.305    103
   1315.43   3.292     72
   1182.50   2.959     34
   1173.71   2.937   1000
   1168.70   2.925    927
    966.92   2.420     49
    960.82   2.405     89
    959.23   2.401     62
    956.67   2.394     60
    954.83   2.390     88
    952.88   2.385     85
    950.93   2.380     91
    944.82   2.365     81
    938.84   2.350     42

¹H NMR	89.56 MHz
C₅ H₁₂ Cl N	0.047 g : 0.5 ml CDCl₃
3-chloro-N,N-dimethylpropylamine hydrochloride

    Assign.     Shift(ppm)

      A            11.9
      B             3.734
      C             3.33
      D             2.923
      E             2.39
     
     J(A,D)=5.0HZ.

     Hz     ppm     Int.

    340.77   3.805    156
    334.79   3.739    247
    328.64   3.670    193
    307.36   3.432     56
    304.28   3.398    160
    302.58   3.379     90
    300.27   3.353     65
    295.48   3.300     64
    291.81   3.259     96
    286.51   3.200     75
    264.29   2.951   1000
    259.25   2.895    988
    227.29   2.538     36
    226.95   2.535     36
    220.89   2.467     74
    219.09   2.447     47
    218.58   2.441     47
    216.02   2.413     54
    214.90   2.400     63
    212.94   2.378     60
    211.32   2.360     74
    206.02   2.301     51
    204.99   2.289     52

in CDCl3