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Methyltetrazine-propylamine
| Catalog Number | CCR1802978477 |
| CAS | 1802978-47-7 |
| Synonyms | Methyltetrazine-propylamine HCl salt |
| IUPAC Name | 3-[4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenoxy]propan-1-amine |
| Molecular Weight | 245.28 |
| Molecular Formula | C12H15N5O |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCCN |
| InChI | InChI=1S/C12H15N5O/c1-9-14-16-12(17-15-9)10-3-5-11(6-4-10)18-8-2-7-13/h3-6H,2,7-8,13H2,1H3 |
| InChI Key | GDNRZRYXVIJHCO-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 | 225 |
| Exact Mass | 245.12766012 |
| Monoisotopic Mass | 245.12766012 |
| pKa | 1.67±0.10(Predicted) |
| Topological Polar Surface Area | 86.8Ų |
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