1-(3-CHLOROPROPYL)PIPERAZINE DIHYDROCHLORIDE HEMIHYDRATE 95(34782-06-4) IR1
Molecular FormulaC7H19Cl3N2O
Molecular Weight253.59756
InChIInChI=1S/C7H15ClN2.2ClH.H2O/c8-2-1-5-10-6-3-9-4-7-10;;;/h9H,1-7H2;2*1H;1H2
InChIKey SZJBSCDUZKUYQE-UHFFFAOYSA-N
SmilesN1(CCCCl)CCNCC1.O.Cl.Cl
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MassMS-NW-8047 1-(3-chloropropyl)piperazine dihydrochloride C7H15ClN2 2HCl 1/2H2O(Mass of molecular ion: 162)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 3.7 18.0 3.4 26.0 1.0 27.0 5.8 28.0 19.9 29.0 10.8 30.0 10.9 35.0 8.7 36.0 84.6 37.0 3.0 38.0 27.6 39.0 3.3 40.0 1.0 41.0 14.1 42.0 33.6 43.0 19.5 44.0 21.8 49.0 2.6 54.0 3.3 55.0 3.7 56.0 41.2 57.0 14.3 58.0 17.4 68.0 1.7 69.0 1.1 70.0 19.8 71.0 2.7 72.0 1.4 77.0 1.8 82.0 1.8 83.0 7.5 84.0 7.2 85.0 3.0 97.0 2.4 98.0 6.2 99.0 77.1 100.0 5.0 105.0 1.1 106.0 5.1 107.0 1.0 108.0 1.5 118.0 1.9 120.0 100.0 121.0 6.3 122.0 31.4 123.0 1.9 127.0 1.7 132.0 1.5 162.0 16.6 163.0 1.7 164.0 5.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H15 Cl N2 0.038 g : 0.5 ml DMSO-d6 1-(3-chloropropyl)piperazine dihydrochloride 
Assign. Shift(ppm)
A 10.0 B 3.773 C 3.267 D 2.229
Hz ppm Int.4017.18 10.052 103 1514.43 3.790 518 1508.03 3.774 1000 1501.62 3.758 538 1393.89 3.488 809 1313.32 3.287 394 1305.69 3.268 456 1297.76 3.248 398 905.61 2.267 113 899.05 2.250 298 890.96 2.230 353 883.79 2.212 280 877.38 2.196 101
in DMSO-d6
KBr disc
nujol mull
