2-Aminopyrimidine(109-12-6) MS

Product Name2-Aminopyrimidine

CAS 109-12-6

Molecular FormulaC4H5N3

Molecular Weight95.1

InChIInChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)

InChIKey LJXQPZWIHJMPQQ-UHFFFAOYSA-N

SmilesC1(N)=NC=CC=N1

Request For Quotation

Mass

MS-NW-5088          
2-pyrimidinamine
C4H5N3              (Mass of molecular ion:     95)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       5.0
      27.0       3.8
      28.0       9.2
      38.0       2.3
      39.0       3.2
      40.0      10.7
      41.0      18.6
      42.0      25.7
      43.0      10.2
      47.5       2.2
      51.0       2.3
      52.0       5.8
      53.0       4.4
      66.0       1.4
      67.0       8.6
      68.0      38.8
      69.0       2.1
      94.0       5.9
      95.0     100.0
      96.0       5.8

90 MHz in D2O

¹H NMR	89.56 MHz
C₄ H₅ N₃	0.043 g : 0.5 ml D₂O
2-pyrimidinamine

    Assign.     Shift(ppm)

      A             8.280
      B             6.764
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

    744.19   8.310    928
    739.19   8.254   1000
    736.75   8.227     33
    736.19   8.221     30
    735.69   8.215     31
    735.25   8.210     28
    733.63   8.192     26
    610.69   6.819    360
    605.69   6.763    612
    600.69   6.708    309

KBr disc