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| IUPAC Name: | 2-aminopropanedinitrile;4-methylbenzenesulfonic acid |
| Description: | Aminomalononitrile p-toluenesulfonate (CAS# 5098-14-6) is a reagent for diazonamide synthesis via heck endocyclization. It may also have implications for developing IκB Kinase-β inhibitors. |
| Molecular Weight: | 253.28 |
| Molecular Formula: | C10H11N3O3S |
| Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)O.C(#N)C(C#N)N |
| InChI: | InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2 |
| InChI Key: | MEUWQVWJLLBVQI-UHFFFAOYSA-N |
| Boiling Point: | 484 °C at 760 mmHg |
| Melting Point: | 174 °C (dec.)(lit.) |
| Purity: | 95 % |
| Appearance: | White to off-white solid |
| MDL: | MFCD00012848 |
| LogP: | 2.38366 |
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