dequalinium chloride
- CAS:
- Other names:
- SMILES: [Cl-].[Cl-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 527.57 | 2 | 2 | 1.34 | 59.8 | 11 | 58 | 0.40 | C30H40Cl2N4 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C1633 | 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 |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[dequalinium chloride] | 2.81 | 1.3 | 10.0 | Fluorescence spectroscopy | Bo Tang 2005 | |
| [b-Cyclodextrin](1).[dequalinium chloride] | 2.70 | 1.3 | 20.0 | Fluorescence spectroscopy | Bo Tang 2005 | |
| [b-Cyclodextrin](1).[dequalinium chloride] | 2.60 | 1.3 | 30.0 | Fluorescence spectroscopy | Bo Tang 2005 | |
| [b-Cyclodextrin](1).[dequalinium chloride] | 2.48 | 1.3 | 40.0 | Fluorescence spectroscopy | Bo Tang 2005 | |
| [b-Cyclodextrin](1).[dequalinium chloride] | 2.37 | 1.3 | 50.0 | Fluorescence spectroscopy | Bo Tang 2005 | |