Cystamine dihydrochloride(56-17-7) MS

Product NameCystamine dihydrochloride

CAS 56-17-7

Molecular FormulaC4H14Cl2N2S2

Molecular Weight225.2

InChIInChI=1S/C4H12N2S2.2ClH/c5-1-3-7-8-4-2-6;;/h1-6H2;2*1H

InChIKey YUFRRMZSSPQMOS-UHFFFAOYSA-N

SmilesS(CCN)SCCN.Cl.Cl

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Mass

MS-NW-4778          
2,2'-dithiobis(ethylamine) dihydrochloride
C4H12N2S2 2HCl      (Mass of molecular ion:    152)

   Source Temperature: 190 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       1.8
      17.0       1.0
      18.0      11.0
      27.0       3.4
      28.0       6.7
      30.0     100.0
      31.0       1.4
      35.0       5.6
      36.0      47.0
      37.0       1.7
      38.0      14.8
      41.0       2.5
      42.0       9.3
      43.0       8.8
      44.0      45.5
      45.0       6.0
      46.0       2.4
      47.0       1.7
      48.0       1.5
      58.0       1.2
      59.0       3.0
      60.0       2.5
      61.0       1.3
      64.0       1.3
      74.0       1.5
      75.0       3.8
      76.0       2.7
      77.0      24.5
      78.0       3.7
      79.0       1.3
      93.0       2.6
      94.0       2.0
     106.0       6.9
     109.0      22.4
     110.0       1.0
     111.0       2.2
     123.0       5.1
     135.0       2.9

400 MHz in D2O

¹H NMR	399.65 MHz
C₄ H₁₂ N₂ S₂	0.038 g : 0.5 ml D₂O
2,2'-dithiobis(ethylamine) dihydrochloride

    Assign.     Shift(ppm)

      A             3.420
      B             3.047
     
     THE SOLVENT SIGNAL PEAK SUPPRESSED.

     Hz     ppm     Int.

   1373.78   3.438    441
   1367.31   3.422   1000
   1360.84   3.406    525
   1224.24   3.064    466
   1217.77   3.048    853
   1211.18   3.031    391

in D2O