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Methyltetrazine-NHS ester
| Catalog Number | CCR1644644961 |
| CAS | 1644644-96-1 |
| Synonyms | Methyltetrazine-Ph-NHS ester |
| IUPAC Name | (2,5-Dioxopyrrolidin-1-yl) 2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetate |
| Molecular Weight | 327.29 |
| Molecular Formula | C15H13N5O4 |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)ON3C(=O)CCC3=O |
| InChI | InChI=1S/C15H13N5O4/c1-9-16-18-15(19-17-9)11-4-2-10(3-5-11)8-14(23)24-20-12(21)6-7-13(20)22/h2-5H,6-8H2,1H3 |
| InChI Key | BIHJLZOOHNOUCG-UHFFFAOYSA-N |
| Boiling Point | 563.1±60.0 °C(Predicted) |
| Density | 1.48±0.1 g/cm3(Predicted) |
| Appearance | Solid |
| Application | IEDDA Click Reaction |
| Complexity | 482 |
| Exact Mass | 327.09675391 |
| Monoisotopic Mass | 327.09675391 |
| pKa | 1.37±0.10(Predicted) |
| Topological Polar Surface Area | 115Ų |
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