3,6-DIAMINO-10-METHYLACRIDINIUM CHLORIDE(86-40-8) IR2
Product Name3,6-DIAMINO-10-METHYLACRIDINIUM CHLORIDE
CAS86-40-8
Molecular FormulaC14H14ClN3
Molecular Weight259.73
InChIInChI=1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H
InChIKey KKAJSJJFBSOMGS-UHFFFAOYSA-N
SmilesC12C=C(C=CC1=CC1=CC=C(N)C=C1[N+]=2C)N.[Cl-]
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MassMS-NW-9108 3,6-diamino-10-methylacridinium chloride C14H14ClN3 (Mass of molecular ion: 259)
Source Temperature: 210 °C Sample Temperature: 180 °C Direct, 75 eV
17.0 4.8 18.0 27.3 27.0 1.1 28.0 2.8 35.0 2.7 36.0 38.4 38.0 12.4 39.0 1.1 41.0 1.4 43.0 1.4 44.0 4.3 51.0 1.4 52.0 1.0 55.0 1.2 57.0 2.4 63.0 2.4 64.0 1.1 69.0 2.6 70.5 1.0 71.0 1.8 75.0 1.0 76.0 1.5 76.5 1.4 77.0 6.0 77.5 1.2 78.0 1.5 81.0 1.6 83.0 1.5 83.5 2.9 84.0 2.0 85.0 1.3 89.0 1.3 90.0 3.2 90.5 5.7 91.0 6.0 97.0 2.4 97.5 4.0 98.0 13.5 98.5 2.3 103.5 1.0 104.0 1.4 104.5 3.7 105.0 2.8 111.0 1.3 111.5 5.0 112.0 2.8 112.5 2.7 113.0 1.3 115.0 1.2 125.0 1.1 126.0 1.4 127.0 4.4 128.0 2.5 139.0 1.3 140.0 2.1 141.0 1.3 151.0 1.4 152.0 2.3 153.0 4.1 154.0 8.0 155.0 2.7 164.0 1.5 165.0 1.4 166.0 2.0 167.0 4.0 168.0 6.1 169.0 1.5 178.0 1.8 179.0 4.2 180.0 2.7 181.0 47.2 182.0 21.9 183.0 3.0 191.0 1.6 192.0 1.9 193.0 1.6 194.0 2.5 195.0 11.6 196.0 71.3 197.0 12.6 198.0 1.1 205.0 1.3 206.0 3.9 207.0 5.8 208.0 4.0 209.0 41.6 210.0 6.9 220.0 1.0 221.0 1.4 222.0 13.4 223.0 100.0 224.0 57.0 225.0 23.2 226.0 3.1 237.0 2.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H14 Cl N3 0.036 g : 0.5 ml DMSO-d6 3,6-diamino-10-methylacridinium chloride 
Assign. Shift(ppm)
A 8.646 B 7.795 C 7.78 D 7.075 E 6.982 F 3.904
Hz ppm Int.3455.69 8.647 292 3120.12 7.808 432 3116.46 7.798 39 3111.08 7.785 463 3087.89 7.727 358 2833.25 7.090 242 2831.67 7.086 260 2824.46 7.068 262 2822.75 7.064 299 2790.77 6.984 457 2789.79 6.981 446 1560.42 3.905 1000
in DMSO-d6
KBr disc
nujol mull
