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| IUPAC Name: | diethyl (4-oxo-1,2,3-benzotriazin-3-yl) phosphate |
| Description: | 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one is a peptide coupling reagent used in peptide synthesis. It shows remarkable resistance to racemization. |
| Molecular Weight: | 299.22 |
| Molecular Formula: | C11H14N3O5P |
| Canonical SMILES: | CCOP(=O)(OCC)ON1C(=O)C2=CC=CC=C2N=N1 |
| InChI: | InChI=1S/C11H14N3O5P/c1-3-17-20(16,18-4-2)19-14-11(15)9-7-5-6-8-10(9)12-13-14/h5-8H,3-4H2,1-2H3 |
| InChI Key: | AJDPNPAGZMZOMN-UHFFFAOYSA-N |
| Boiling Point: | 382.1±25.0 ℃ (Predicted) |
| Melting Point: | 75-77 ℃ |
| Purity: | 95 % |
| Density: | 1.450±0.10 g/cm3 (Predicted) |
| Appearance: | Clear to faint yellow liquid |
| Storage: | -20 ℃ |
| MDL: | MFCD01236967 |
| LogP: | 1.40120 |
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