Product NameHomopiperazine
CAS505-66-8
Molecular FormulaC5H12N2
Molecular Weight100.16
InChIInChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2
InChIKey FQUYSHZXSKYCSY-UHFFFAOYSA-N
SmilesN1CCCNCC1
Mass
MS-NW-1431 hexahydro-1,4-diazepine C5H12N2 (Mass of molecular ion: 100)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 6.6 18.0 3.3 26.0 1.4 27.0 7.0 28.0 24.4 29.0 6.1 30.0 43.2 31.0 1.1 32.0 3.3 39.0 5.1 40.0 2.0 41.0 14.4 42.0 26.6 43.0 100.0 44.0 71.3 45.0 3.9 54.0 1.7 55.0 2.2 56.0 17.9 57.0 28.7 58.0 37.7 59.0 1.6 68.0 3.6 69.0 18.6 70.0 29.5 71.0 9.4 83.0 1.0 85.0 4.8 99.0 50.5 100.0 24.1 101.0 1.8
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C5 H12 N2 | 0.041 g : 0.5 ml CDCl3 |
hexahydro-1,4-diazepine |
Assign. Shift(ppm) |
Hz ppm Int.
268.31 2.996 134 262.56 2.932 208 259.44 2.897 1000 256.56 2.865 182 168.00 1.876 23 167.44 1.870 24 163.00 1.821 30 161.88 1.808 45 161.25 1.801 49 158.19 1.767 793 155.88 1.741 79 151.06 1.687 24 149.75 1.673 31 149.06 1.665 31
in CDCl3
CCl4 solution
KBr disc
liquid film
nujol mull
Homopiperazine(505-66-8)IR Atlas of Related Products
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