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BCN-amine
| Catalog | CCR1263166933 |
| CAS | 1263166-93-3 |
| IUPAC Name | [(1R,8S)-9-Bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate |
| Molecular Weight | 324.4 |
| Molecular Formula | C17H28N2O4 |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCN)CCC#C1 |
| InChI | InChI=1S/C17H28N2O4/c18-7-9-21-11-12-22-10-8-19-17(20)23-13-16-14-5-3-1-2-4-6-15(14)16/h14-16H,3-13,18H2,(H,19,20)/t14-,15+,16? |
| InChI Key | YZGOWXGENSKDSE-XYPWUTKMSA-N |
| Boiling Point | 487.1±30.0 °C(Predicted) |
| Purity | 98% |
| Density | 1.14±0.1 g/cm3(Predicted) |
| Solubility | Soluble in water, DMSO, DCM, DMF |
| Application | SPAAC & SPANC Click Reaction |
| Storage | -20 °C |
| Complexity | 411 |
| Exact Mass | 324.20490738 |
| Isomeric SMILES | C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCN)CCC#C1 |
| Monoisotopic Mass | 324.20490738 |
| pKa | 12.05±0.46(Predicted) |
| Topological Polar Surface Area | 82.8Ų |
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