2,3-Diaminopyridine(452-58-4) MS
Product Name2,3-Diaminopyridine
CAS452-58-4
Molecular FormulaC5H7N3
Molecular Weight109.13
InChIInChI=1S/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8)
InChIKey ZZYXNRREDYWPLN-UHFFFAOYSA-N
SmilesC1(N)=NC=CC=C1N
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MassMS-IW-3071 2,3-diaminopyridine C5H7N3 (Mass of molecular ion: 109)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 1.0 27.0 1.8 28.0 10.8 29.0 2.1 30.0 1.3 37.0 1.6 38.0 4.7 39.0 9.3 40.0 2.7 41.0 4.8 42.0 1.9 43.0 3.7 51.0 1.8 52.0 5.9 53.0 5.0 54.0 16.5 55.0 22.2 56.0 7.8 64.0 2.0 65.0 4.3 66.0 3.0 78.0 2.0 81.0 17.1 82.0 29.9 83.0 1.6 92.0 3.3 93.0 1.9 108.0 2.1 109.0 100.0 110.0 6.7
parameter in DMSO-d6
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1H NMR 300 MHz C5 H7 N3 30 % in DMSO 2,3-diaminopyridine 
Parameter ppm Hz
D(A) 7.58 D(B) 6.56 D(C) 6.93 J(A,B) 4.9 J(A,C) 1.7 J(B,C) 7.3 D(D) 5.22 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)
Hz ppm Int.2277.31 7.591 67 2275.64 7.585 69 2272.42 7.575 70 2270.75 7.569 70 2083.61 6.945 64 2081.94 6.940 64 2076.31 6.921 73 2074.63 6.915 72 1973.95 6.580 69 1969.06 6.564 69 1966.67 6.556 63 1961.78 6.539 59 1566.00 5.220 1000
KBr disc
nujol mull
