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Methyltetrazine-PEG5-alkyne
| Catalog Number | CCR1802907976 |
| CAS | 1802907-97-6 |
| Synonyms | 3-(4-(3,6,9,12-Tetraoxapentadec-14-yn-1-yloxy)phenyl)-6-methyl-1,2,4,5-tetrazine |
| IUPAC Name | 3-Methyl-6-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,2,4,5-tetrazine |
| Molecular Weight | 402.44 |
| Molecular Formula | C20H26N4O5 |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCC#C |
| InChI | InChI=1S/C20H26N4O5/c1-3-8-25-9-10-26-11-12-27-13-14-28-15-16-29-19-6-4-18(5-7-19)20-23-21-17(2)22-24-20/h1,4-7H,8-16H2,2H3 |
| InChI Key | OAKPIEOTVXLRCN-UHFFFAOYSA-N |
| Boiling Point | 568.5±60.0 °C(Predicted) |
| Density | 1.176±0.06 g/cm3(Predicted) |
| Solubility | Soluble in DMSO, DCM, DMF |
| Application | IEDDA Click Reaction |
| Complexity | 445 |
| Exact Mass | 402.19031994 |
| Monoisotopic Mass | 402.19031994 |
| pKa | 1.67±0.10(Predicted) |
| Topological Polar Surface Area | 97.7 Ų |
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