Tetramethylrhodamine | SBID = 161 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 55.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 305.0 | ||
| Sum Formula: | C24H22N2O3 | ||
| M / g/mol: | 386.451 | ||
| Complexity: | 752.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aromatic, typical guest, dye, charged
- Name: Tetramethylrhodamine
- Preferred Abbreviation: Tetramethylrhodamine
- IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
- CAS:
- CID: 9952143
- InChiKey: ABZLKHKQJHEPAX-UHFFFAOYSA-N
- InChi: InChI=1S/C24H22N2O3/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28/h5-14H,1-4H3
- CanoSmiles: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)[O-]
- IsoSmiles: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)[O-]
