caffeine
- CAS:
- Other names:
- SMILES: Cn1cnc2N(C)C(=O)N(C)C(=O)c12
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 194.19 | 3 | 0 | -1.03 | 61.82 | 0 | 70 | 0.38 | C8H10N4O2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| NT_a0065 | 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 |
|---|---|---|---|---|---|---|
| [2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[caffeine] | 2.44 | 1.58 | 25.0 | fluorescence spectroscopy | Aicart, Emilio 2003 | |