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Methyltetrazine-PEG5-NHS ester
| Catalog | CCR1802907921 |
| CAS | 1802907-92-1 |
| Synonyms | 2,5-Dioxopyrrolidin-1-yl 1-(4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy)-3,6,9,12-tetraoxapentadecan-15-oate |
| IUPAC Name | (2,5-Dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Molecular Weight | 533.5 |
| Molecular Formula | C24H31N5O9 |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O |
| InChI | InChI=1S/C24H31N5O9/c1-18-25-27-24(28-26-18)19-2-4-20(5-3-19)37-17-16-36-15-14-35-13-12-34-11-10-33-9-8-23(32)38-29-21(30)6-7-22(29)31/h2-5H,6-17H2,1H3 |
| InChI Key | SWSUSQWZOPGVKP-UHFFFAOYSA-N |
| Boiling Point | 697.9±65.0 °C(Predicted) |
| Density | 1.35±0.1 g/cm3(Predicted) |
| Application | IEDDA Click Reaction |
| Storage | -20 °C |
| Complexity | 699 |
| Exact Mass | 533.21217758 |
| Monoisotopic Mass | 533.21217758 |
| pKa | 1.67±0.10(Predicted) |
| Topological Polar Surface Area | 161Ų |
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