2,4-DIAMINO-6-ISOPROPOXY-1,3,5-TRIAZINE(24860-40-0) MS

Product Name2,4-DIAMINO-6-ISOPROPOXY-1,3,5-TRIAZINE

CAS 24860-40-0

Molecular FormulaC6H11N5O

Molecular Weight169.18

InChIInChI=1S/C6H11N5O/c1-3(2)12-6-10-4(7)9-5(8)11-6/h3H,1-2H3,(H4,7,8,9,10,11)

InChIKey ATCQNYLEZRQALQ-UHFFFAOYSA-N

SmilesN1=C(OC(C)C)N=C(N)N=C1N

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Mass

MS-IW-9158          
6-isopropoxy-1,3,5-triazine-2,4-diamine
C6H11N5O            (Mass of molecular ion:    169)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.4
      27.0       5.0
      28.0       5.3
      39.0       4.0
      40.0       1.0
      41.0       9.0
      42.0       7.7
      43.0      46.3
      44.0       4.4
      56.0       1.3
      58.0       2.1
      59.0       1.1
      68.0      13.0
      69.0      25.5
      70.0       1.5
      84.0       3.4
      85.0      14.4
      86.0      17.3
      99.0       6.4
     110.0       4.5
     111.0     100.0
     112.0       7.2
     127.0       8.3
     128.0      35.4
     129.0       1.9
     154.0       3.8
     169.0      13.7
     170.0       1.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₁ N₅ O	0.039 g : 0.5 ml DMSO-d₆
6-isopropoxy-1,3,5-triazine-2,4-diamine

    Assign.     Shift(ppm)

      A             6.59
      B             5.121
      C             1.222

     Hz     ppm     Int.

   2635.50   6.595    431
   2059.20   5.153     29
   2052.98   5.137     77
   2046.75   5.122    106
   2040.53   5.106     77
   2034.30   5.091     29
    501.10   1.254     24
    491.33   1.230   1000
    485.11   1.214    948

in DMSO-d6

KBr disc

nujol mull

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