xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt structure

xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt

2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate

Also Known As: Solvent Red 49|Zwitterion|Rhodamine B base|SolventRed49|RHODAMINE B|EINECS 222-163-9|KS-00003WN8|Rhodamine B base, analytical standard|Rhodamine B base, Dye content 97 %|T814|Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt|9-(2-Carboxylatophenyl)-3,6-bis(diethylamino)xanthylium|J1.466.099B|2-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzoate|2-[3,6-Bis(diethylamino)xanthen-10-ium-9-yl]benzoate|2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoate|2-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]benzoate|3',6'-bis(Diethylamino)spiroisobenzofuran-1(3H),9'-9Hxanthene-3-one|2-[3-(diethylamino)-6-(diethyliminio)xanthen-9-yl]benzoate|Ethaminium, N-(9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethyl)-, hydroxide, inner salt|2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate|2-[3-(Diethyliminio)-6-(diethylamino)-3H-xanthene-9-yl]benzoate|3,6-Bis(diethylamino)-9-(2-carboxylatophenyl)-9H-xanthene-9-ylium|9-(2-carboxylatophenyl)-3,6-bis(diethylamino)-9H-xanthen-9-ylium|2-(3-Diethyliminio-6-diethylamino-3H-xanthen-9-yl)benzoic acid anion|2-[(3,6-Bis(diethylamino)-9H-xanthene-9-ylium)-9-yl]benzoic acid anion|2-[3-(Diethyliminio)-6-(diethylamino)-3H-xanthene-9-yl]benzoic acid anion|9-(2-carboxylatophenyl)-3,6-bis(diethylamino)-10lambda4-xanthen-10-ylium|9-(2-Carboxylatophenyl)-6-(diethylamino)-3H-xanthene-3-ylidenediethyliminium|Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt

CAS: 3375-25-5
Molecular Formula C28H30N2O3
Molecular Weight 442.22565 g/mol
LogP 4.2263
Topological Polar Surface Area 59.52 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 7
Exact Mass 442.22565
Monoisotopic Mass 442.22565
Heavy Atoms 33
Complexity 1342.9851

Chemical Identifiers

CAS Number 3375-25-5
SMILES CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)[O-]

Product Overview

xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, inner salt (CAS 3375-25-5), with molecular formula C28H30N2O3 and molecular weight 442.22565 g/mol. IUPAC: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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