34782-06-4

1-(3-氯丙基)哌嗪二盐酸盐半水合物(34782-06-4)红外图谱(IR2)

产品名称:1-(3-氯丙基)哌嗪二盐酸盐半水合物

CAS:34782-06-4

分子式:C7H19Cl3N2O

分子量: 253.59756

InChI:InChI=1S/C7H15ClN2.2ClH.H2O/c8-2-1-5-10-6-3-9-4-7-10;;;/h9H,1-7H2;2*1H;1H2

InChIKey: SZJBSCDUZKUYQE-UHFFFAOYSA-N

Smiles:N1(CCCCl)CCNCC1.O.Cl.Cl

Mass

MS-NW-8047          
1-(3-chloropropyl)piperazine dihydrochloride
C7H15ClN2 2HCl 1/2H2O(Mass of molecular ion:    162)

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

      15.0       3.7
      18.0       3.4
      26.0       1.0
      27.0       5.8
      28.0      19.9
      29.0      10.8
      30.0      10.9
      35.0       8.7
      36.0      84.6
      37.0       3.0
      38.0      27.6
      39.0       3.3
      40.0       1.0
      41.0      14.1
      42.0      33.6
      43.0      19.5
      44.0      21.8
      49.0       2.6
      54.0       3.3
      55.0       3.7
      56.0      41.2
      57.0      14.3
      58.0      17.4
      68.0       1.7
      69.0       1.1
      70.0      19.8
      71.0       2.7
      72.0       1.4
      77.0       1.8
      82.0       1.8
      83.0       7.5
      84.0       7.2
      85.0       3.0
      97.0       2.4
      98.0       6.2
      99.0      77.1
     100.0       5.0
     105.0       1.1
     106.0       5.1
     107.0       1.0
     108.0       1.5
     118.0       1.9
     120.0     100.0
     121.0       6.3
     122.0      31.4
     123.0       1.9
     127.0       1.7
     132.0       1.5
     162.0      16.6
     163.0       1.7
     164.0       5.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₁₅ Cl N₂	0.038 g : 0.5 ml DMSO-d₆
1-(3-chloropropyl)piperazine dihydrochloride

    Assign.     Shift(ppm)

      A            10.0
      B             3.773
      C             3.267
      D             2.229

     Hz     ppm     Int.

   4017.18  10.052    103
   1514.43   3.790    518
   1508.03   3.774   1000
   1501.62   3.758    538
   1393.89   3.488    809
   1313.32   3.287    394
   1305.69   3.268    456
   1297.76   3.248    398
    905.61   2.267    113
    899.05   2.250    298
    890.96   2.230    353
    883.79   2.212    280
    877.38   2.196    101

in DMSO-d6