2-Amino-3-picoline(1603-40-3) IR1
Product Name2-Amino-3-picoline
CAS1603-40-3
Molecular FormulaC6H8N2
Molecular Weight108.14
InChIInChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
InChIKey RGDQRXPEZUNWHX-UHFFFAOYSA-N
SmilesC1(N)=NC=CC=C1C
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MassMS-NW-1045 3-methyl-2-pyridinamine C6H8N2 (Mass of molecular ion: 108)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
18.0 1.6 26.0 1.3 27.0 5.4 28.0 7.0 30.0 2.0 37.0 1.5 38.0 3.3 39.0 11.4 40.0 2.7 41.0 3.7 42.0 2.0 43.0 2.7 50.0 2.7 51.0 4.3 52.0 5.9 53.0 12.6 54.0 6.2 55.0 2.4 56.0 4.6 62.0 1.2 63.0 3.2 64.0 5.0 65.0 4.0 66.0 3.0 67.0 2.4 68.0 1.8 78.0 1.4 79.0 1.9 80.0 50.8 81.0 20.9 82.0 1.6 91.0 12.1 92.0 2.0 93.0 1.1 107.0 19.5 108.0 100.0 109.0 7.2
90 MHz in CDCl3
parameter in CDCl3
parameter in DMSO-d6
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1H NMR 89.56 MHz C6 H8 N2 0.04 ml : 0.5 ml CDCl3 3-methyl-2-pyridinamine 
Assign. Shift(ppm)
A 7.928 B 7.233 C 6.583 D 4.6 E 2.090
Hz ppm Int.713.94 7.972 72 713.38 7.966 83 712.19 7.953 90 711.56 7.946 87 708.94 7.916 82 708.25 7.909 90 707.69 7.902 82 707.06 7.895 95 706.50 7.889 88 653.69 7.299 50 653.00 7.292 89 652.19 7.283 111 651.19 7.271 109 650.38 7.262 92 649.56 7.253 38 646.63 7.221 41 645.81 7.211 113 644.94 7.202 137 644.00 7.191 133 643.13 7.181 111 642.31 7.172 43 595.31 6.648 151 595.00 6.644 153 590.25 6.591 138 589.94 6.588 138 588.13 6.567 124 587.81 6.564 123 583.06 6.511 110 582.69 6.507 109 406.81 4.543 49 187.25 2.091 1000
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1H NMR 300 MHz C6 H8 N2 20 % in CDCl3 3-methyl-2-pyridinamine Parameter ppm Hz
D(A) 7.98 D(B) 6.53 D(C) 7.18 D(D) 1.98 J(A,B) 5.1 J(A,C) 1.8 J(A,D) 0.6 J(B,C) 7.2 J(B,D) 0.2 J(C,D) 1.0 D(E) 5.22 BELL,C.L. J.HETEROCYCL.CHEM. 2, 420 (1965)
Hz ppm Int.2397.72 7.992 71 2397.22 7.991 76 2396.55 7.988 68 2395.94 7.986 80 2395.50 7.985 76 2392.66 7.976 74 2392.05 7.973 80 2391.55 7.972 71 2390.88 7.970 79 2390.38 7.968 73 2160.02 7.200 25 2159.07 7.197 60 2158.13 7.194 77 2157.24 7.191 77 2156.29 7.188 60 2155.40 7.185 28 2152.79 7.176 29 2151.84 7.173 65 2150.90 7.170 82 2150.06 7.167 82 2149.12 7.164 64 2148.17 7.161 27 1965.07 6.550 113 1959.96 6.533 113 1957.90 6.526 111 1952.84 6.509 101 1566.01 5.220 1000 594.07 1.980 717
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1H NMR 300 MHz C6 H8 N2 30 % in DMSO 3-methyl-2-pyridinamine Parameter ppm Hz
D(A) 7.99 D(B) 6.54 D(C) 7.28 D(D) 2.09 J(A,B) 4.8 J(A,C) 1.7 J(A,D) 0.0 J(B,C) 7.4 J(B,D) 0.0 J(C,D) 0.7 D(E) 5.91 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)
Hz ppm Int.2400.28 8.001 132 2398.63 7.995 136 2395.49 7.985 137 2393.84 7.979 137 2188.22 7.294 92 2187.34 7.291 91 2180.80 7.269 99 2179.98 7.267 98 1968.03 6.560 130 1963.25 6.544 131 1960.67 6.536 126 1955.88 6.520 119 1772.98 5.910 979 627.26 2.091 1000 626.82 2.089 1000
in CDCl3
liquid film
