Oxazine 1 | SBID = 1154 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 27.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| 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: | 266.1 | ||
| Sum Formula: | C20H26N3O+ | ||
| M / g/mol: | 324.4 | ||
| Complexity: | 533.0 | ||
| Number of Conformers: | 5.0 |
Identifiers
- Tags: aromatic, cation, typical guest, dye, charged
- Name: Oxazine 1
- Preferred Abbreviation: Oxazine 1
- IUPAC Name: [7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium
- CAS: 47367-75-9
- CID: 90612
- InChiKey: OELZFJUWWFRWLC-UHFFFAOYSA-N
- InChi: InChI=1S/C20H26N3O/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17/h9-14H,5-8H2,1-4H3/q+1
- CanoSmiles: CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2
- IsoSmiles: CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2
