p-nitrophenyl urocanoate
- CAS:
- Other names: PNPU
- SMILES: O=C(OC1=CC=C([N+]([O-])=O)C=C1)C=CC2=CNC=N2
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 259.22 | 4 | 1 | 2.46 | 100.8 | 5 | 100 | 0.00 | C12H9N3O4 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| JN_63 | 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).[p-nitrophenyl urocanoate] | 1.95 | 10.5 | 25.0 | NMR spectroscopy | Paolo Scrimin 1997 | |
| [b-Cyclodextrin](1).[p-nitrophenyl urocanoate] | 2.32 | 10.5 | 25.0 | NMR spectroscopy | Paolo Scrimin 1997 | |