barbital
- CAS:
- Other names:
- SMILES: CCC1(CC)C(=O)NC(=O)NC1=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 184.19 | 5 | 2 | 0.82 | 75.27000000000001 | 2 | 40 | 0.63 | C8H12N2O3 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| JN_290 | 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).[barbital] | 1.97 | 0.95 | 10.0 | freezing point depression method | Masahiko Suzuki 1993 | |
| [a-Cyclodextrin](1).[barbital] | 1.92 | UV spectroscopy | Masahiko Suzuki 1993 | |||
| [a-Cyclodextrin](2).[barbital] | 0.98 | 0.32 | 10.0 | freezing point depression method | Masahiko Suzuki 1993 | |
| [a-Cyclodextrin](2).[barbital] | 0.96 | UV spectroscopy | Masahiko Suzuki 1993 | |||