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N-(Prop-2-ynyl)biotinamide
| Catalog Number | CCR773888452 |
| CAS | 773888-45-2 |
| Structure |  |
| Synonyms | N-Propargylbiotinamide |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-prop-2-ynylpentanamide |
| Molecular Weight | 281.37 |
| Molecular Formula | C13H19N3O2S |
| Canonical SMILES | C#CCNC(=O)CCCCC1C2C(CS1)NC(=O)N2 |
| InChI | InChI=1S/C13H19N3O2S/c1-2-7-14-11(17)6-4-3-5-10-12-9(8-19-10)15-13(18)16-12/h1,9-10,12H,3-8H2,(H,14,17)(H2,15,16,18)/t9-,10-,12-/m0/s1 |
| InChI Key | JJXUHRONZVELPY-NHCYSSNCSA-N |
| Boiling Point | 614.8±50.0 °C(Predicted) |
| Density | 1.185±0.06 g/cm3(Predicted) |
| Solubility | Soluble in DMSO and DMF |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Complexity | 404 |
| Exact Mass | 281.11979803 |
| Isomeric SMILES | C#CCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 |
| Monoisotopic Mass | 281.11979803 |
| pKa | 13.90±0.40(Predicted) |
| Topological Polar Surface Area | 95.5 Ų |
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