Hexetidine(141-94-6) IR1

Product NameHexetidine

CAS 141-94-6

Molecular FormulaC21H45N3

Molecular Weight339.6

InChIInChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3

InChIKey DTOUUUZOYKYHEP-UHFFFAOYSA-N

SmilesC1N(CC(CC)CCCC)CC(C)(N)CN1CC(CC)CCCC

Request For Quotation

¹³CNMR

IR1

Raman

Mass

MS-NW-8876          
1,3-bis(2-ethylhexyl)-5-methyl-1,2,3,4,5,6-hexahydropyrimidine-5-amine
C21H45N3            (Mass of molecular ion:    339)

   Source Temperature: 170 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      29.0       3.0
      30.0       6.4
      41.0       5.6
      42.0       9.0
      43.0      10.0
      44.0      24.4
      55.0       4.1
      56.0       4.6
      57.0      54.9
      58.0      15.7
      68.0       1.1
      69.0       3.6
      70.0       7.3
      71.0       6.5
      72.0       1.5
      82.0       1.6
      83.0       6.2
      84.0       4.1
      85.0       7.6
      86.0       1.1
      97.0       3.9
      98.0       2.6
      99.0       7.3
     111.0       2.6
     112.0       2.1
     113.0       1.7
     126.0       1.7
     128.0       1.3
     140.0       6.9
     141.0       2.1
     142.0     100.0
     143.0      10.5
     154.0       7.9
     155.0       3.8
     156.0      16.7
     157.0       3.7
     168.0       1.2
     181.0       1.2
     182.0       7.3
     183.0      12.6
     184.0       2.1
     185.0       3.4
     195.0      20.7
     196.0      13.7
     197.0      42.4
     198.0       6.8
     209.0       1.4
     210.0       1.2
     211.0       1.2
     226.0      15.6
     227.0       2.4
     238.0       1.0
     240.0      17.9
     241.0       3.0
     283.0       4.2
     295.0       1.1
     310.0       1.3
     322.0       1.3
     338.0      20.0
     339.0       9.2
     340.0       5.9
     341.0       1.2

in CDCl3