N,N-二甲氨基氯丙烷鹽酸鹽(5407-04-5)Raman光譜
分子式:C5H13Cl2N
分子量: 158.07
InChI:InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
InChIKey: LJQNMDZRCXJETK-UHFFFAOYSA-N
Smiles:C(CCCl)N(C)C.Cl
-
Mass
MS-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
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| 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
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| 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