Meldola’s blue | SBID = 239 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 24.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C18H15ClN2O | ||
| M / g/mol: | 310.781 | ||
| Complexity: | 566.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical guest, dye, charged
- Name: Meldola’s blue
- Preferred Abbreviation: Basic blue 6
- IUPAC Name: benzo[a]phenoxazin-9-ylidene(dimethyl)azanium;chloride
- CAS: 966-62-1
- CID: 101929
- InChiKey: HWYNRVXFYFQSID-UHFFFAOYSA-M
- InChi: InChI=1S/C18H15N2O.ClH/c1-20(2)13-8-9-15-17(11-13)21-16-10-7-12-5-3-4-6-14(12)18(16)19-15;/h3-11H,1-2H3;1H/q+1;/p-1
- CanoSmiles: C[N+](=C1C=CC2=NC3=C(C=CC4=CC=CC=C43)OC2=C1)C.[Cl-]
- IsoSmiles: C[N+](=C1C=CC2=NC3=C(C=CC4=CC=CC=C43)OC2=C1)C.[Cl-]
