N,N'-Bis(2-aminoethyl)-1,3-propanediamine(4741-99-5) Raman
Product NameN,N'-Bis(2-aminoethyl)-1,3-propanediamine
CAS4741-99-5
Molecular FormulaC7H20N4
Molecular Weight160.26
InChIInChI=1S/C7H20N4/c8-2-6-10-4-1-5-11-7-3-9/h10-11H,1-9H2
InChIKey UWMHHZFHBCYGCV-UHFFFAOYSA-N
SmilesC(NCCN)CCNCCN
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MassMS-IW-2612 N,N'-bis(2-aminoethyl)trimethylenediamine C7H20N4 (Mass of molecular ion: 160)
Source Temperature: 200 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.4 17.0 1.6 18.0 9.4 27.0 2.5 28.0 9.7 29.0 2.9 30.0 30.4 31.0 1.0 39.0 1.4 41.0 10.9 42.0 17.3 43.0 15.3 44.0 100.0 45.0 4.5 54.0 1.7 55.0 1.9 56.0 14.0 57.0 4.2 58.0 24.2 59.0 1.6 60.0 1.0 68.0 2.9 69.0 1.6 70.0 32.9 71.0 6.4 72.0 5.9 73.0 17.7 82.0 2.7 83.0 5.9 84.0 10.7 85.0 3.7 87.0 36.4 88.0 2.0 97.0 2.5 98.0 1.9 99.0 4.9 100.0 1.0 101.0 4.3 110.0 2.1 111.0 1.6 112.0 1.0 113.0 23.9 114.0 2.2 130.0 41.6 131.0 3.3 182.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H20 N4 0.05 ml : 0.5 ml CDCl3 N,N'-bis(2-aminoethyl)trimethylenediamine 
Assign. Shift(ppm)
A 2.789 B 2.684 C 2.658 D 1.683 E 1.24
Hz ppm Int.1121.09 2.806 396 1120.48 2.804 376 1115.11 2.791 788 1114.14 2.788 470 1109.25 2.776 590 1079.83 2.702 570 1072.88 2.685 1000 1067.63 2.672 657 1067.26 2.671 664 1065.92 2.668 663 1062.26 2.658 482 1061.40 2.656 775 1055.91 2.643 379 1055.42 2.641 387 686.28 1.718 80 679.32 1.700 275 672.36 1.683 365 665.53 1.666 253 658.57 1.648 77 496.70 1.243 260
in CDCl3
liquid film
