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| IUPAC Name: | 1-(4-nitrophenyl)piperazine |
| Description: | 1-(4-Nitrophenyl)piperazine (CAS# 6269-89-2) is a useful synthetic intermediate in the synthesis of Itraconazole (I937500); an orally active antimycotic structurally related to Ketoconazole. Also antifungal. |
| Molecular Weight: | 207.23 |
| Molecular Formula: | C10H13N3O2 |
| Canonical SMILES: | C1CN(CCN1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChI: | InChI=1S/C10H13N3O2/c14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11H,5-8H2 |
| InChI Key: | VWOJSRICSKDKAW-UHFFFAOYSA-N |
| Boiling Point: | 391.9 °C at 760 mmHg |
| Purity: | > 98 % |
| Density: | 1.222 g/cm3 |
| Appearance: | Yellow to ochre powder |
| MDL: | MFCD00005961 |
| LogP: | 1.92140 |
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