3-(DIMETHYLAMINO)PROPYL CHLORIDE HYDROCHLORIDE(5407-04-5) 1H NMR
Product Name3-(DIMETHYLAMINO)PROPYL CHLORIDE HYDROCHLORIDE
CAS5407-04-5
Molecular FormulaC5H13Cl2N
Molecular Weight158.07
InChIInChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
InChIKey LJQNMDZRCXJETK-UHFFFAOYSA-N
SmilesC(CCCl)N(C)C.Cl
-
MassMS-NW-6312 3-chloro-N,N-dimethylpropylamine hydrochloride C5H12ClN HCl (Mass of molecular ion: 121)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 4.0 18.0 1.3 27.0 2.1 28.0 2.0 29.0 1.6 30.0 5.3 35.0 2.1 36.0 15.5 38.0 5.1 39.0 2.0 41.0 3.3 42.0 9.8 43.0 2.4 44.0 5.4 56.0 1.8 57.0 1.9 58.0 100.0 59.0 4.0 70.0 1.2 71.0 1.5 84.0 1.7 85.0 1.2 121.0 4.9 123.0 1.7
400 MHz in CDCl3
90 MHz in CDCl3
-
1H NMR 399.65 MHz C5 H12 Cl N 0.047 g : 0.5 ml CDCl3 3-chloro-N,N-dimethylpropylamine hydrochloride 
Assign. Shift(ppm)
A 3.739 B 3.52 C 3.319 D 2.931 E 2.385
Hz ppm Int.1500.49 3.755 203 1494.38 3.740 272 1488.16 3.724 196 1407.35 3.522 164 1336.67 3.345 75 1331.30 3.332 107 1328.86 3.326 80 1325.44 3.317 75 1323.49 3.312 80 1320.80 3.305 103 1315.43 3.292 72 1182.50 2.959 34 1173.71 2.937 1000 1168.70 2.925 927 966.92 2.420 49 960.82 2.405 89 959.23 2.401 62 956.67 2.394 60 954.83 2.390 88 952.88 2.385 85 950.93 2.380 91 944.82 2.365 81 938.84 2.350 42
-
1H NMR 89.56 MHz C5 H12 Cl N 0.047 g : 0.5 ml CDCl3 3-chloro-N,N-dimethylpropylamine hydrochloride Assign. Shift(ppm)
A 11.9 B 3.734 C 3.33 D 2.923 E 2.39 J(A,D)=5.0HZ.
Hz ppm Int.340.77 3.805 156 334.79 3.739 247 328.64 3.670 193 307.36 3.432 56 304.28 3.398 160 302.58 3.379 90 300.27 3.353 65 295.48 3.300 64 291.81 3.259 96 286.51 3.200 75 264.29 2.951 1000 259.25 2.895 988 227.29 2.538 36 226.95 2.535 36 220.89 2.467 74 219.09 2.447 47 218.58 2.441 47 216.02 2.413 54 214.90 2.400 63 212.94 2.378 60 211.32 2.360 74 206.02 2.301 51 204.99 2.289 52
in CDCl3
KBr disc
liquid film
nujol mull
4880 A,200 M,powder
