Hexamethylenediamine(124-09-4) Raman
Product NameHexamethylenediamine
CAS124-09-4
Molecular FormulaC6H16N2
Molecular Weight116.2
InChIInChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
InChIKey NAQMVNRVTILPCV-UHFFFAOYSA-N
SmilesC(N)CCCCCN
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MassMS-NW-8690 hexamethylenediamine C6H16N2 (Mass of molecular ion: 116)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 6.0 27.0 1.8 28.0 4.9 29.0 1.7 30.0 100.0 31.0 4.1 39.0 1.7 41.0 5.4 42.0 6.1 43.0 3.4 44.0 6.9 45.0 5.9 55.0 3.9 56.0 18.7 57.0 2.1 59.0 3.0 67.0 1.1 69.0 2.7 70.0 5.6 72.0 3.2 73.0 2.1 82.0 1.5 86.0 5.1 87.0 12.5 98.0 1.2 99.0 3.5 100.0 3.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H16 N2 0.042 g : 0.5 ml CDCl3 hexamethylenediamine 
Assign. Shift(ppm)
A 2.678 B 1.49 C 1.36 D 1.22
Hz ppm Int.246.81 2.756 139 245.31 2.740 138 240.31 2.684 488 237.00 2.647 105 233.94 2.613 233 143.44 1.602 31 142.81 1.595 31 141.81 1.584 32 141.38 1.579 33 140.75 1.572 34 136.75 1.527 98 135.38 1.512 95 131.44 1.468 140 122.06 1.363 769 115.69 1.292 82 115.00 1.285 79 114.38 1.278 82 109.25 1.220 1000 101.94 1.139 24
in CDCl3
KBr disc
liquid film
