3-Bromopropylamine hydrobromide (5003-71-4) IR1
Product Name3-Bromopropylamine hydrobromide
CAS5003-71-4
Molecular FormulaC3H9Br2N
Molecular Weight218.92
InChIInChI=1S/C3H8BrN.BrH/c4-2-1-3-5;/h1-3,5H2;1H
InChIKey PQIYSSSTRHVOBW-UHFFFAOYSA-N
SmilesC(CBr)CN.Br
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MassMS-NW-6822 3-bromopropylamine hydrobromide C3H8BrN HBr (Mass of molecular ion: 137)
Source Temperature: 210 °C Sample Temperature: 170 °C Direct, 75 eV
26.0 1.1 27.0 3.1 28.0 7.3 29.0 1.7 30.0 100.0 31.0 1.8 39.0 1.6 41.0 2.6 42.0 1.2 43.0 1.4 56.0 3.1 58.0 10.2 79.0 5.8 80.0 16.2 81.0 5.7 82.0 15.8 109.0 1.3 111.0 1.2 137.0 1.2 139.0 1.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C3 H8 Br N 0.038 g : 0.5 ml DMSO-d6 3-bromopropylamine hydrobromide 
Assign. Shift(ppm)
A 8.0 B 3.628 C 2.917 D 2.131
Hz ppm Int.3187.01 7.975 137 1456.91 3.646 486 1450.32 3.629 1000 1447.02 3.621 60 1443.73 3.613 513 1182.01 2.958 32 1176.15 2.943 124 1169.31 2.926 210 1163.09 2.911 211 1155.88 2.893 134 1149.90 2.878 37 865.84 2.167 115 859.25 2.151 324 856.08 2.143 66 851.56 2.131 362 848.02 2.122 66 844.60 2.114 311 840.45 2.103 23 837.89 2.097 103
in DMSO-d6
KBr disc
nujol mull
