4741-99-5

N,N'-二(2-氨乙基)-1,3-丙二胺(4741-99-5)質(zhì)譜(MS)

產(chǎn)品名稱:N,N'-二(2-氨乙基)-1,3-丙二胺

CAS:4741-99-5

分子式:C7H20N4

分子量: 160.26

InChI:InChI=1S/C7H20N4/c8-2-6-10-4-1-5-11-7-3-9/h10-11H,1-9H2

InChIKey: UWMHHZFHBCYGCV-UHFFFAOYSA-N

Smiles:C(NCCN)CCNCCN

Mass

MS-IW-2612          
N,N'-bis(2-aminoethyl)trimethylenediamine
C7H20N4             (Mass of molecular ion:    160)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.4
      17.0       1.6
      18.0       9.4
      27.0       2.5
      28.0       9.7
      29.0       2.9
      30.0      30.4
      31.0       1.0
      39.0       1.4
      41.0      10.9
      42.0      17.3
      43.0      15.3
      44.0     100.0
      45.0       4.5
      54.0       1.7
      55.0       1.9
      56.0      14.0
      57.0       4.2
      58.0      24.2
      59.0       1.6
      60.0       1.0
      68.0       2.9
      69.0       1.6
      70.0      32.9
      71.0       6.4
      72.0       5.9
      73.0      17.7
      82.0       2.7
      83.0       5.9
      84.0      10.7
      85.0       3.7
      87.0      36.4
      88.0       2.0
      97.0       2.5
      98.0       1.9
      99.0       4.9
     100.0       1.0
     101.0       4.3
     110.0       2.1
     111.0       1.6
     112.0       1.0
     113.0      23.9
     114.0       2.2
     130.0      41.6
     131.0       3.3
     182.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₂₀ N₄	0.05 ml : 0.5 ml CDCl₃
N,N'-bis(2-aminoethyl)trimethylenediamine

    Assign.     Shift(ppm)

      A             2.789
      B             2.684
      C             2.658
      D             1.683
      E             1.24

     Hz     ppm     Int.

   1121.09   2.806    396
   1120.48   2.804    376
   1115.11   2.791    788
   1114.14   2.788    470
   1109.25   2.776    590
   1079.83   2.702    570
   1072.88   2.685   1000
   1067.63   2.672    657
   1067.26   2.671    664
   1065.92   2.668    663
   1062.26   2.658    482
   1061.40   2.656    775
   1055.91   2.643    379
   1055.42   2.641    387
    686.28   1.718     80
    679.32   1.700    275
    672.36   1.683    365
    665.53   1.666    253
    658.57   1.648     77
    496.70   1.243    260

in CDCl3