Product Name3-Aminopropionitrile
CAS151-18-8
Molecular FormulaC3H6N2
Molecular Weight70.09
InChIInChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
InChIKey AGSPXMVUFBBBMO-UHFFFAOYSA-N
SmilesC(#N)CCN

Mass
MS-IW-3444 3-aminopropionitrile C3H6N2 (Mass of molecular ion: 70)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
14.0 1.9
15.0 6.2
17.0 3.0
18.0 2.0
25.0 1.3
26.0 6.9
27.0 8.6
28.0 71.1
29.0 5.7
30.0 100.0
31.0 5.4
32.0 3.5
33.5 1.3
34.0 1.3
38.0 8.2
39.0 10.4
40.0 20.1
41.0 25.9
42.0 62.8
43.0 4.4
50.0 1.3
51.0 6.9
52.0 9.6
53.0 4.3
54.0 5.0
66.0 3.1
67.0 4.6
68.0 1.3
69.0 7.2
70.0 4.5
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C3 H6 N2 | 0.04 ml : 0.5 ml CDCl3 |
| 3-aminopropionitrile | |
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Assign. Shift(ppm) |
Hz ppm Int.
275.75 3.079 156
274.81 3.069 179
269.13 3.006 278
268.44 2.998 470
262.88 2.936 270
262.25 2.929 312
228.56 2.553 270
227.88 2.545 295
226.25 2.527 29
222.31 2.483 421
221.31 2.472 275
216.00 2.412 157
215.06 2.402 164
124.25 1.388 1000
in CDCl3

KBr disc

liquid film

nujol mull

3-Aminopropionitrile(151-18-8) 13C NMR Atlas of Related Products
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