| CAS | 4684-32-6 |
| Structure |  |
| Synonyms | Picrinin |
| IUPAC Name | Methyl 14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate |
| Molecular Weight | 338.41 |
| Molecular Formula | C20H22N2O3 |
| Canonical SMILES | CC=C1CN2C3CC1C(C45C3(NC6=CC=CC=C64)OC2C5)C(=O)OC |
| InChI | InChI=1S/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3 |
| InChI Key | BDXYPHKGNUGUFG-UHFFFAOYSA-N |
| Boiling Point | 501.1±50.0 °C |
| Melting Point | 222-224 °C |
| Purity | 98% |
| Density | 1.38±0.1 g/ml |
| pKa | 4.47±0.40 |
| Appearance | Powder |
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