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TAMRA alkyne, 6-isomer
| Catalog Number | CCR1352649445 |
| CAS | 1352649-44-5 |
| IUPAC Name | 2-[3-(Dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-(prop-2-ynylcarbamoyl)benzoate |
| Molecular Weight | 467.53 |
| Molecular Formula | C28H25N3O4 |
| Canonical SMILES | CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)NCC#C)C(=O)[O-] |
| InChI | InChI=1S/C28H25N3O4/c1-6-13-29-27(32)17-7-10-20(28(33)34)23(14-17)26-21-11-8-18(30(2)3)15-24(21)35-25-16-19(31(4)5)9-12-22(25)26/h1,7-12,14-16H,13H2,2-5H3,(H-,29,32,33,34) |
| InChI Key | ZKVFIMYNEWHSCO-UHFFFAOYSA-N |
| Solubility | Soluble in DMF, DMSO, alcohols |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Complexity | 1000 |
| Exact Mass | 467.18450629 |
| Monoisotopic Mass | 467.18450629 |
| Topological Polar Surface Area | 84.7 Ų |
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