Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-
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Basic information
- CAS
64381-98-2- Standard SMILES
CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1- InChIKey
CVAVMIODJQHEEH-UHFFFAOYSA-O- Molecular formula
- C28H31N2O3+
- Average molar mass
- 443.6 g/mol
- Monoisotopic mass
- 443.23346786
Names & identifiers
- Preferred name
- Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-
- IUPAC
- [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium
- English name
- 3,6-Bis(diethylamino)-9-(2-carboxyphenyl)-9,10-didehydro-9H-xanthene-10-ium
- Molecular formula
- C28H31N2O3
- Molecular weight
- 443.56
Names & synonyms
Rhodamine 610Rhodamine B ion(1+)Rhodamine B ionXanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-RefChem:902310Rhodamine B cationRhodamine B(1+)64381-98-2D and C Red 19[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium14899-08-2N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium
Show more names
3,6-Bis(diethylamino)-9-(2-carboxyphenyl)-9,10-didehydro-9H-xanthene-10-ium
NSC41837Pilot 578SCHEMBL3903552CHEMBL1185708DTXSID2047981SCHEMBL12960386SCHEMBL29593395CHEBI:52896
Database identifiers
- CAS
64381-98-2- PubChem CID
- 6695
- DTXSID
DTXSID2047981- ChEMBL
CHEMBL1185708- ChEBI
CHEBI:52896- Nikkaji
- J2.881.825D、J209.365K、J60.850E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 1
- Complexity
- 811
Physicochemical properties
- pka
- 3.663 · 3.663±0.36(predicted)
Chemistry & industry
Applications
DescriptionRhodamine B ion(1+) is a cationic fluorescent dye derived from 9-phenylxanthene. Rhodamine B ion(1+) is used as a tracer dye in a wide variety of industrial and laboratory applications.
Additional notes
DefinitionChEBI: Rhodamine B(1+) is a cationic fluorescent dye derived from 9-phenylxanthene. It has a role as a fluorochrome. It is an organic cation and a xanthene dye.
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Compound notes
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