Bis(2-chloroethyl)amine hydrochloride(821-48-7) ¹³C NMR

Product NameBis(2-chloroethyl)amine hydrochloride

CAS 821-48-7

Molecular FormulaC4H10Cl3N

Molecular Weight178.49

InChIInChI=1S/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H

InChIKey YMDZDFSUDFLGMX-UHFFFAOYSA-N

SmilesN(CCCl)CCCl.Cl

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Mass

MS-NW-7393          
bis(2-chloroethyl)amine hydrochloride
C4H9Cl2N HCl        (Mass of molecular ion:    141)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       1.6
      18.0       1.7
      26.0       2.1
      27.0      17.0
      28.0      12.3
      29.0       3.1
      30.0      14.2
      35.0       4.0
      36.0      18.0
      37.0       1.5
      38.0       6.3
      40.0       1.2
      41.0       3.4
      42.0       7.2
      43.0       3.0
      44.0       5.3
      49.0       3.0
      51.0       1.0
      56.0      15.9
      57.0       3.5
      63.0      27.2
      64.0       2.2
      65.0       8.6
      70.0       1.9
      78.0       2.2
      92.0     100.0
      93.0       4.0
      94.0      31.3
      95.0       1.3
     106.0       3.7
     108.0       1.0
     140.0       1.0
     141.0       3.2
     143.0       2.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₉ Cl₂ N	0.039 g : 0.5 ml DMSO-d₆
bis(2-chloroethyl)amine hydrochloride

    Assign.     Shift(ppm)

      A             9.79
      B             3.974
      C             3.371

     Hz     ppm     Int.

   3914.49   9.795     43
   1594.85   3.991    443
   1588.29   3.975   1000
   1581.88   3.959    471
   1369.48   3.427     21
   1369.17   3.426     21
   1367.19   3.421     22
   1366.42   3.420     22
   1365.81   3.418     23
   1360.63   3.405     25
   1353.61   3.387    432
   1347.20   3.371    830
   1340.64   3.355    377

in DMSO-d6