harmine
- CAS:
- Other names:
- SMILES: COc1ccc2c([nH]c3c(C)nccc23)c1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 212.25 | 2 | 1 | 3.03 | 37.91 | 1 | 65 | 0.15 | C13H12N2O |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C829 | 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).[harmine] | 2.46 | 0.85 | 7.8 | 22.0 | Fluorescence spectroscopy | B. del Castillo 2003 |
| [Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[harmine] | 2.05 | 1.34 | 7.8 | 22.0 | Fluorescence spectroscopy | B. del Castillo 2003 |
| [Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[harmine] | 2.32 | 1.53 | 7.8 | 22.0 | Fluorescence spectroscopy | B. del Castillo 2003 |