3-Aminopyridine(462-08-8) MS
Product Name3-Aminopyridine
CAS462-08-8
Molecular FormulaC5H6N2
Molecular Weight94.11
InChIInChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2
InChIKey CUYKNJBYIJFRCU-UHFFFAOYSA-N
SmilesC1=NC=CC=C1N
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MassMS-NW-2299 3-pyridylamine C5H6N2 (Mass of molecular ion: 94)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 1.1 28.0 7.6 37.0 3.2 38.0 6.6 39.0 17.5 40.0 8.7 41.0 26.1 42.0 1.9 46.5 1.0 50.0 1.7 51.0 2.2 52.0 2.4 54.0 2.4 64.0 1.4 65.0 2.6 66.0 9.5 67.0 35.1 68.0 3.8 93.0 11.4 94.0 100.0 95.0 6.4
parameter in DMSO-d6
90 MHz in CDCl3
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1H NMR 300 MHz C5 H6 N2 30 % in DMSO 3-pyridylamine 
Parameter ppm Hz
D(A) 8.53 D(B) 7.26 D(C) 7.40 D(D) 8.23 J(A,B) 1.5 J(A,C) 1.5 J(A,D) 0.0 J(B,C) 7.9 J(B,D) 3.2 J(C,D) 2.8 D(E) 5.80 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)
Hz ppm Int.2560.47 8.535 154 2559.04 8.530 275 2557.56 8.525 155 2472.01 8.240 130 2469.02 8.230 224 2466.03 8.220 136 2226.46 7.422 60 2224.95 7.416 66 2223.68 7.412 66 2222.17 7.407 61 2218.56 7.395 88 2217.05 7.390 95 2215.77 7.386 94 2214.29 7.381 84 2183.92 7.280 86 2182.44 7.275 91 2180.73 7.269 90 2179.24 7.264 85 2176.02 7.253 62 2174.54 7.248 64 2172.82 7.243 62 2171.34 7.238 58 1740.01 5.800 1000
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1H NMR 89.56 MHz C5 H6 N2 0.049 g : 0.5 ml CDCl3 3-pyridylamine Assign. Shift(ppm)
A 8.08 B 7.99 C 7.030 D 6.966 E 3.89
Hz ppm Int.725.00 8.096 431 723.94 8.084 542 722.31 8.066 406 721.44 8.056 488 718.94 8.028 394 717.13 8.008 337 714.69 7.981 498 712.88 7.960 437 638.81 7.133 155 637.81 7.122 200 634.63 7.087 81 633.50 7.074 116 630.63 7.042 705 629.63 7.031 675 626.63 6.997 1000 625.31 6.983 767 624.69 6.976 811 624.06 6.969 718 622.25 6.948 680 618.50 6.906 154 616.56 6.885 102 615.88 6.877 182 614.06 6.857 123 347.81 3.884 426
in CDCl3
CCl4 solution
KBr disc
nujol mull
