[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium hydroxide

CAS: 13082-47-8

Molecular Formula	`C28H32N2O4`
Molecular Weight	460.6 g/mol
Topological Polar Surface Area	53.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	460.2362
Heavy Atoms	34
Complexity	811.0

Chemical Identifiers

CAS Number	13082-47-8
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[OH-]`
InChIKey	`ROBRTKNZGHQYCR-UHFFFAOYSA-N`

📖 Product Overview

[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium hydroxide (CAS: 13082-47-8) is a chemical compound with molecular formula C28H32N2O4 and molecular weight 460.6 g/mol. Its IUPAC systematic name is [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium hydroxide. Topological Polar Surface Area 53.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 460.2362 Heavy Atoms 34 Complexity 811.0 InChI Key: ROBRTKNZGHQYCR-UHFFFAOYSA-N. SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[OH-].

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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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