harmane
- CAS:
- Other names:
- SMILES: CC1=NCCc2c1[nH]c3ccccc23
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 184.24 | 1 | 1 | 1.97 | 28.15 | 0 | 100 | 0.25 | C12H12N2 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C828 | 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).[harmane] | 2.62 | 1.48 | 7.8 | 22.0 | Fluorescence spectroscopy | B. del Castillo 2003 |
| [Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin isomeric purity >80 %](1).[harmane] | 2.06 | 1.62 | 7.8 | 22.0 | Fluorescence spectroscopy | B. del Castillo 2003 |
| [Heptakis(2,3,6-tri-O-Methyl)-b-Cyclodextrin](1).[harmane] | 1.36 | 1.15 | 7.8 | 22.0 | Fluorescence spectroscopy | B. del Castillo 2003 |