6-Methyl-1,3,5-triazine-2,4-diamine(542-02-9) MS
Product Name6-Methyl-1,3,5-triazine-2,4-diamine
CAS542-02-9
Molecular FormulaC4H7N5
Molecular Weight125.13
InChIInChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)
InChIKey NJYZCEFQAIUHSD-UHFFFAOYSA-N
SmilesN1=C(C)N=C(N)N=C1N
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MassMS-NW-0250 6-methyl-1,3,5-triazine-2,4-diamine C4H7N5 (Mass of molecular ion: 125)
Source Temperature: 200 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 3.0 18.0 1.8 27.0 1.4 28.0 6.8 40.0 2.1 41.0 4.0 42.0 24.5 43.0 57.5 44.0 1.0 53.0 1.4 55.0 2.5 58.0 1.1 67.0 1.2 68.0 6.0 82.0 1.7 83.0 6.9 84.0 7.0 85.0 2.7 98.0 8.3 110.0 2.0 125.0 100.0 126.0 9.6
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H7 N5 saturated in DMSO-d6 6-methyl-1,3,5-triazine-2,4-diamine 
Assign. Shift(ppm)
A 6.6 B 2.064
Hz ppm Int.2651.86 6.636 38 825.20 2.065 1000
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1H NMR 89.56 MHz C4 H7 N5 0.044 g : 0.5 ml DMSO-d6 6-methyl-1,3,5-triazine-2,4-diamine Assign. Shift(ppm)
A 6.61 B 2.066
Hz ppm Int.591.58 6.606 236 185.08 2.067 1000
in DMSO-d6
KBr disc
nujol mull
