373-44-4

1,8-Diaminooctane(373-44-4) MS

Product Name1,8-Diaminooctane

CAS 373-44-4

Molecular FormulaC8H20N2

Molecular Weight144.26

InChIInChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2

InChIKey PWGJDPKCLMLPJW-UHFFFAOYSA-N

SmilesC(N)CCCCCCCN

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1,8-Diaminooctane(373-44-4) MS
Mass

MS-NW-4671          
octamethylenediamine
C8H20N2             (Mass of molecular ion:    144)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0      10.7
      27.0       2.0
      28.0       3.0
      29.0       2.0
      30.0     100.0
      31.0       3.3
      39.0       1.8
      41.0       5.6
      42.0       3.5
      43.0       3.1
      44.0      10.3
      45.0       6.0
      54.0       1.1
      55.0       6.9
      56.0      10.3
      57.0       1.3
      58.0       1.0
      59.0       3.1
      67.0       1.1
      69.0       3.3
      70.0       4.7
      72.0       5.2
      73.0       1.2
      84.0       1.2
      86.0       6.0
      87.0       1.4
      98.0       1.3
     100.0       3.5
     114.0       1.8
     115.0       8.3
     128.0       5.8

90 MHz in CDCl3

1,8-Diaminooctane(373-44-4) MS

¹H NMR	89.56 MHz
C₈ H₂₀ N₂	0.049 g : 0.5 ml CDCl₃
octamethylenediamine

    Assign.     Shift(ppm)

      A             2.67
      B             1.43
      C             1.32
      D             1.09

     Hz     ppm     Int.

    246.38   2.752     72
    246.00   2.747     71
    244.56   2.731     67
    244.19   2.727     66
    243.69   2.721     65
    243.06   2.714     64
    239.63   2.676    258
    233.06   2.603    122
    135.00   1.508     45
    134.38   1.501     46
    133.81   1.495     46
    132.38   1.479     52
    131.56   1.469     56
    130.13   1.453     64
    129.75   1.449     67
    127.56   1.425     89
    126.75   1.416     92
    118.44   1.323    689
    111.38   1.244     53
     97.50   1.089   1000

in CDCl3