Pyronin Y | SBID = 146 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 15.5 | ||
| 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: | C17H19ClN2O | ||
| M / g/mol: | 302.802 | ||
| Complexity: | 480.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, dye, typical guest, charged
- Name: Pyronin Y
- Preferred Abbreviation: Pyronin G
- IUPAC Name: [6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium;chloride
- CAS: 92-32-0
- CID: 7085
- InChiKey: INCIMLINXXICKS-UHFFFAOYSA-M
- InChi: InChI=1S/C17H19N2O.ClH/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14;/h5-11H,1-4H3;1H/q+1;/p-1
- CanoSmiles: CN(C)C1=CC2=C(C=C1)C=C3C=CC(=[N+](C)C)C=C3O2.[Cl-]
- IsoSmiles: CN(C)C1=CC2=C(C=C1)C=C3C=CC(=[N+](C)C)C=C3O2.[Cl-]
