4-tert-butyl benzoate ion
- CAS:
- Other names:
- SMILES: O=C([O-])C1=CC=C(C(C)(C)C)C=C1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 177.22 | 1 | 0 | 1.35 | 40.129999999999995 | 2 | 33 | 0.36 | C11H13O2- |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| JN_355 | 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 |
|---|---|---|---|---|---|---|
| [a-Cyclodextrin](1).[4-tert-butyl benzoate ion] | 1.71 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [a-Cyclodextrin](1).[4-tert-butyl benzoate ion] | 1.81 | 1.28 | 25.0 | potentiometry | Wolfgang Zimmermann 1998 | |
| [b-Cyclodextrin](1).[4-tert-butyl benzoate ion] | 2.58 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [b-Cyclodextrin](1).[4-tert-butyl benzoate ion] | 4.26 | 25.0 | microcalorimetry | Wolfgang Zimmermann 1998 | ||
| [cyclomaltodecaose](1).[4-tert-butyl benzoate ion] | 0.48 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [cyclomaltododecaose](1).[4-tert-butyl benzoate ion] | 1.18 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [cyclomaltononaose](1).[4-tert-butyl benzoate ion] | 1.67 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [cyclomaltotridecaose](1).[4-tert-butyl benzoate ion] | 1.40 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [cyclomaltoundecaose](1).[4-tert-butyl benzoate ion] | 0.95 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||
| [g-Cyclodextrin](1).[4-tert-butyl benzoate ion] | 1.87 | 25.0 | capillary electrophoresis | Wolfgang Zimmermann 1998 | ||