Rhodamine methylester chloride | SBID = 160 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 85.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 5.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C21H17ClN2O3 | ||
| M / g/mol: | 380.828 | ||
| Complexity: | 706.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical guest, dye
- Name: Rhodamine methylester chloride
- Preferred Abbreviation: Rhodamine 123
- IUPAC Name: methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate;hydrochloride
- CAS: 62669-70-9
- CID: 9929799
- InChiKey: MYFATKRONKHHQL-UHFFFAOYSA-N
- InChi: InChI=1S/C21H16N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11,22H,23H2,1H3;1H
- CanoSmiles: COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N.Cl
- IsoSmiles: COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N.Cl
