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| Chemical manufacturer since 2002 | ||||
| Name | Zolertine |
|---|---|
| Synonyms | 1-Phenyl-4-[2-(2H-1,2,3,4-Tetrazol-5-Yl)Ethyl]Piperazine; Zolertinum [Inn-Latin]; Piperazine, 1-Phenyl-4-(2-(1H-Tetrazol-5-Yl)Ethyl)- |
| Molecular Structure |  |
| Molecular Formula | C13H18N6 |
| Molecular Weight | 258.33 |
| CAS Registry Number | 4004-94-8 |
| SMILES | C1=CC=CC=C1N3CCN(CCC2=N[NH]N=N2)CC3 |
| InChI | 1S/C13H18N6/c1-2-4-12(5-3-1)19-10-8-18(9-11-19)7-6-13-14-16-17-15-13/h1-5H,6-11H2,(H,14,15,16,17) |
| InChIKey | XTTHMUYLNLEJRS-UHFFFAOYSA-N |
| Density | 1.236g/cm3 (Cal.) |
|---|---|
| Boiling point | 470.598°C at 760 mmHg (Cal.) |
| Flash point | 238.409°C (Cal.) |
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