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BCN-SS-amine
| Catalog Number | CCR1435784658 |
| CAS | 1435784-65-8 |
| Synonyms | (1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethyl N-{2-[(2-aminoethyl)disulfanyl]ethyl}carbamate |
| IUPAC Name | [(1R,8S)-9-Bicyclo[6.1.0]non-4-ynyl]methyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate |
| Molecular Weight | 328.50 |
| Molecular Formula | C15H24N2O2S2 |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCSSCCN)CCC#C1 |
| InChI | InChI=1S/C15H24N2O2S2/c16-7-9-20-21-10-8-17-15(18)19-11-14-12-5-3-1-2-4-6-13(12)14/h12-14H,3-11,16H2,(H,17,18)/t12-,13+,14? |
| InChI Key | COXJSXQCKNEICM-PBWFPOADSA-N |
| Boiling Point | 497.0±30.0 °C(Predicted) |
| Density | 1.23±0.1 g/cm3(Predicted) |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 387 |
| Exact Mass | 328.12792036 |
| Isomeric SMILES | C1C[C@@H]2[C@@H](C2COC(=O)NCCSSCCN)CCC#C1 |
| Monoisotopic Mass | 328.12792036 |
| pKa | 12.03±0.46(Predicted) |
| Topological Polar Surface Area | 115Ų |
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