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Back ChemicalBook Home>CAS DataBase List>505-66-8More Spectrum> Homopiperazine(505-66-8) IR1

505-66-8

Homopiperazine(505-66-8) IR1

Product NameHomopiperazine

CAS505-66-8

Molecular FormulaC5H12N2

Molecular Weight100.16

InChIInChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2

InChIKey FQUYSHZXSKYCSY-UHFFFAOYSA-N

SmilesN1CCCNCC1

  • Homopiperazine(505-66-8) IR1
    Mass

    MS-NW-1431          
    hexahydro-1,4-diazepine
    C5H12N2             (Mass of molecular ion:    100)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       6.6
          18.0       3.3
          26.0       1.4
          27.0       7.0
          28.0      24.4
          29.0       6.1
          30.0      43.2
          31.0       1.1
          32.0       3.3
          39.0       5.1
          40.0       2.0
          41.0      14.4
          42.0      26.6
          43.0     100.0
          44.0      71.3
          45.0       3.9
          54.0       1.7
          55.0       2.2
          56.0      17.9
          57.0      28.7
          58.0      37.7
          59.0       1.6
          68.0       3.6
          69.0      18.6
          70.0      29.5
          71.0       9.4
          83.0       1.0
          85.0       4.8
          99.0      50.5
         100.0      24.1
         101.0       1.8
    

90 MHz in CDCl3

  • Homopiperazine(505-66-8) IR1

    1H NMR 89.56 MHz
    C5 H12 N2 0.041 g : 0.5 ml CDCl3
    hexahydro-1,4-diazepine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.926 B 2.897 C 1.77 D 1.76

         Hz     ppm     Int.
    

        268.31   2.996    134
        262.56   2.932    208
        259.44   2.897   1000
        256.56   2.865    182
        168.00   1.876     23
        167.44   1.870     24
        163.00   1.821     30
        161.88   1.808     45
        161.25   1.801     49
        158.19   1.767    793
        155.88   1.741     79
        151.06   1.687     24
        149.75   1.673     31
        149.06   1.665     31
    

in CDCl3

  • Homopiperazine(505-66-8) IR1

CCl4 solution

  • Homopiperazine(505-66-8) IR1

KBr disc

  • Homopiperazine(505-66-8) IR1

liquid film

  • Homopiperazine(505-66-8) IR1

nujol mull

  • Homopiperazine(505-66-8) IR1

  • Homopiperazine(505-66-8) IR1

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