3697-42-5

Chlorhexidine hydrochloride(3697-42-5) MS

Molecular FormulaC22H32Cl4N10

Molecular Weight578.37

InChIInChI=1S/C22H30Cl2N10.2ClH/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H

InChIKey WJLVQTJZDCGNJN-UHFFFAOYSA-N

SmilesC1(C=CC(Cl)=CC=1)NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC1C=CC(Cl)=CC=1.Cl.Cl

Request For Quotation

¹HNMR

IR1

IR2

Chlorhexidine hydrochloride(3697-42-5) MS
Mass

MS-IW-3611          
1,1'-hexamethylenebis(5-(p-chlorophenyl)biguanide) dihydrochloride
C22H30Cl2N10 2HCl   (Mass of molecular ion:    504)

   Source Temperature: 280 °C
   Sample Temperature: 280 °C
   Direct, 75 eV

      30.0       1.4
      36.0       3.5
      37.0       1.8
      38.0       2.9
      39.0       2.7
      43.0       2.0
      49.0       1.0
      50.0       4.2
      51.0       2.4
      52.0       1.2
      61.0       1.8
      62.0       3.1
      63.0       6.8
      64.0       2.9
      65.0       3.0
      72.0       1.1
      73.0       4.1
      74.0       3.6
      75.0       9.5
      76.0       5.5
      77.0       2.0
      85.0       1.1
      89.0       2.5
      90.0      11.9
      91.0       1.8
      92.0       1.1
      98.0       1.3
      99.0       6.3
     100.0       1.9
     101.0       2.1
     111.0       8.2
     112.0       2.6
     113.0       2.9
     116.0       1.4
     117.0       7.3
     124.0       1.1
     125.0      25.4
     126.0       3.4
     127.0      15.3
     128.0       1.6
     129.0       2.4
     151.0       1.7
     152.0     100.0
     153.0       9.6
     154.0      31.8
     155.0       2.9
     169.0       2.6