4-Pyridinemethaneamine (3731-53-1) MS
Product Name4-Pyridinemethaneamine
CAS3731-53-1
Molecular FormulaC6H8N2
Molecular Weight108.14
InChIInChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2
InChIKey TXQWFIVRZNOPCK-UHFFFAOYSA-N
SmilesC1=NC=CC(CN)=C1
-
MassMS-NW-1083 4-(aminomethyl)pyridine C6H8N2 (Mass of molecular ion: 108)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.7 26.0 1.9 27.0 3.2 28.0 11.5 29.0 3.2 30.0 46.0 37.0 1.1 38.0 2.0 39.0 5.7 40.0 1.3 41.0 1.3 49.0 1.0 50.0 6.0 51.0 11.3 52.0 11.7 53.0 7.4 54.0 2.8 63.0 2.3 64.0 1.9 65.0 3.6 78.0 4.7 79.0 27.1 80.0 100.0 81.0 6.1 92.0 1.9 105.0 1.4 107.0 21.7 108.0 12.2 109.0 1.1
90 MHz in CDCl3
parameter in DMSO-d6
-
1H NMR 89.56 MHz C6 H8 N2 0.04 ml : 0.5 ml CDCl3 4-(aminomethyl)pyridine 
Assign. Shift(ppm)
A 8.538 B 7.252 C 3.898 D 1.52
Hz ppm Int.767.81 8.574 461 766.25 8.556 278 763.38 8.524 290 761.81 8.507 509 653.13 7.293 256 652.38 7.285 445 651.63 7.276 333 650.75 7.267 266 650.00 7.258 148 648.75 7.244 150 647.94 7.235 251 647.13 7.226 321 646.38 7.218 411 645.63 7.209 215 349.06 3.898 1000 345.88 3.862 41 140.19 1.566 35 136.50 1.525 713
-
1H NMR 300 MHz C6 H8 N2 30 % in DMSO 4-(aminomethyl)pyridine Parameter ppm Hz
D(A) 8.60 D(B) 7.41 D(C) 3.83 J(A,A') 0.4 J(A,B) 5.2 J(A,B') 1.0 J(A,C) 0.0 J(A',B) 1.0 J(A',B') 5.2 J(A',C) 0.0 J(B,B') 1.6 J(B,C) 0.7 J(B',C) 0.7 D(D) 2.39 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)
Hz ppm Int.2583.15 8.610 324 2581.53 8.605 198 2578.59 8.595 196 2576.97 8.590 339 2226.09 7.420 243 2219.97 7.400 233 1149.08 3.830 672 717.01 2.390 1000
in CDCl3
CCl4 solution
liquid film
