PBN
- CAS:
- Other names: 1
- SMILES: CC(C)(C)[N+]([O-])=Cc1ccccc1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 177.24 | 0 | 0 | 2.94 | 28.75 | 2 | 38 | 0.36 | C11H15NO |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| VR_C171 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[PBN] | 1.71 | 0.60 | 27.0 | NMR | Jean-Pierre Finet, Paul Tordo 2005 | |
| [Randomly methylated-b-Cyclodextrin (DS ~12)](1).[PBN] | 1.90 | 0.85 | 27.0 | NMR | Jean-Pierre Finet, Paul Tordo 2005 | |