Histamine dihydrochloride(56-92-8) IR2
Product NameHistamine dihydrochloride
CAS56-92-8
Molecular FormulaC5H11Cl2N3
Molecular Weight184.07
InChIInChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H
InChIKey PPZMYIBUHIPZOS-UHFFFAOYSA-N
SmilesC1(N=CNC=1)CCN.Cl.Cl
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MassMS-NW-0256 2-(4-imidazolyl)ethylamine dihydrochloride C5H9N3 2HCl (Mass of molecular ion: 111)
Source Temperature: 190 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 3.1 26.0 1.8 27.0 2.3 28.0 14.3 29.0 1.4 30.0 29.4 35.0 5.2 36.0 37.6 37.0 1.8 38.0 14.3 39.0 2.3 40.0 1.7 41.0 2.5 42.0 2.4 43.0 1.8 52.0 2.2 53.0 1.4 54.0 14.1 55.0 10.8 56.0 1.5 57.0 1.4 67.0 1.2 68.0 1.0 69.0 1.3 81.0 32.2 82.0 100.0 83.0 6.3 93.0 1.7 110.0 1.1 111.0 4.1
400 MHz in D2O
90 MHz in D2O
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1H NMR 399.65 MHz C5 H9 N3 0.038 g : 0.5 ml D2O 2-(4-imidazolyl)ethylamine dihydrochloride 
Assign. Shift(ppm)
A 8.706 B 7.442 C 3.393 D 3.211 THE SOLVENT PEAK SUPPRESSED.
Hz ppm Int.3480.59 8.710 604 3479.37 8.707 630 2974.37 7.443 580 1364.01 3.414 435 1356.57 3.395 1000 1349.24 3.377 695 1289.79 3.228 537 1286.13 3.219 100 1282.59 3.210 810 1275.15 3.191 356
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1H NMR 89.56 MHz C5 H9 N3 0.043 g : 0.5 ml D2O 2-(4-imidazolyl)ethylamine dihydrochloride Assign. Shift(ppm)
A 8.690 B 7.441 C 3.38 D 3.20 J(A,B)=1.4Hz. The solvent signal removed.
Hz ppm Int.783.19 8.745 37 782.69 8.740 49 779.00 8.699 631 777.63 8.683 611 670.50 7.487 43 666.88 7.447 527 666.19 7.439 525 661.75 7.389 44 661.19 7.383 36 314.50 3.512 168 311.13 3.474 261 309.38 3.455 190 304.56 3.401 851 301.38 3.366 187 299.69 3.347 884 298.56 3.334 1000 296.56 3.312 129 293.63 3.279 622 292.81 3.270 735 291.81 3.259 490 290.19 3.241 165 289.88 3.237 162 287.56 3.211 562 282.69 3.157 175 282.25 3.152 178 281.25 3.141 158 280.31 3.130 145
in D2O
KBr disc
nujol mull
