Rhodamine 123 free base
Basic information
- CAS
104114-27-4- Standard SMILES
COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12- InChIKey
FCGVBHISQBBIQF-UHFFFAOYSA-N- Molecular formula
- C21H16N2O3
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.11609238
Names & identifiers
- Preferred name
- Rhodamine 123 free base
- IUPAC
- methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate
- English name
- Xanthylium,3,6-diamino-9-[2-(methoxycarbonyl)phenyl]-
- Molecular formula
- C21H17N2O3+
- Molecular weight
- 345.38
Names & synonyms
Rhodamine 123 free base104114-27-4methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoateCHEMBL34753405D072FS97Xanthylium, 3,6-diamino-9-(2-(methoxycarbonyl)phenyl)-METHYL 2-(6-AMINO-3-IMINO-3H-XANTHEN-9-YL)BENZOATEmethyl 2-(3-amino-6-imino-xanthen-9-yl)benzoateXanthylium, 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]-UNII-05D072FS97methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate;hydrochlorideSCHEMBL268381
Show more names
Xanthylium,3,6-diamino-9-[2-(methoxycarbonyl)phenyl]-
DTXSID00866946BDBM50121978PDSP1_000346PDSP2_000344NCGC00247291-01LS-14837Q272361082-(3-amino-6-imino-xanthen-9-yl)benzoic acid methyl ester
Database identifiers
- CAS
104114-27-4- PubChem CID
- 65218
- DTXSID
DTXSID00866946- ChEMBL
CHEMBL347534- UNII
- 05D072FS97
- Nikkaji
- J1.353.668F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 706
Physicochemical properties
- FDA UNII
- 5 D072FS97 · 05D072FS97
Chemistry & industry
Applications
UsesRhodamine derivative, a fluoresent dye-labeled compound.
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Related reactions
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Compound notes
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