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BDP 581/591 alkyne
| Catalog Number | CCR2006345340 |
| CAS | 2006345-34-0 |
| IUPAC Name | 3-[2,2-Difluoro-12-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]-N-prop-2-ynylpropanamide |
| Molecular Weight | 429.3 |
| Molecular Formula | C25H22BF2N3O |
| Canonical SMILES | [B-]1(N2C(=CC=C2CCC(=O)NCC#C)C=C3[N+]1=C(C=C3)C=CC=CC4=CC=CC=C4)(F)F |
| InChI | InChI=1S/C25H22BF2N3O/c1-2-18-29-25(32)17-16-22-13-15-24-19-23-14-12-21(30(23)26(27,28)31(22)24)11-7-6-10-20-8-4-3-5-9-20/h1,3-15,19H,16-18H2,(H,29,32)/b10-6+,11-7+ |
| InChI Key | OLFSHALJABVHGP-JMQWPVDRSA-N |
| Purity | 95%+ |
| Solubility | Soluble in DCM, DMF, DMSO |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Storage | -20 °C |
| Complexity | 934 |
| Exact Mass | 429.1823988 |
| Isomeric SMILES | [B-]1(N2C(=CC=C2CCC(=O)NCC#C)C=C3[N+]1=C(C=C3)/C=C/C=C/C4=CC=CC=C4)(F)F |
| Monoisotopic Mass | 429.1823988 |
| Topological Polar Surface Area | 37Ų |
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