[9-(2,4-dicarboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium

CAS: 775223-53-5

Molecular Formula	`C29H31N2O5+`
Molecular Weight	487.6 g/mol
LogP	3.9
Topological Polar Surface Area	90.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	487.2233
Heavy Atoms	36
Complexity	936.0

Chemical Identifiers

CAS Number	775223-53-5
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)O)C(=O)O`
InChIKey	`NZRQKXUQAXJACC-UHFFFAOYSA-O`

📖 Product Overview

[9-(2,4-dicarboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium (CAS: 775223-53-5) is a chemical compound with molecular formula C29H31N2O5+ and molecular weight 487.6 g/mol. Its IUPAC systematic name is [9-(2,4-dicarboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium. LogP 3.9 Topological Polar Surface Area 90.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 487.2233 Heavy Atoms 36 Complexity 936.0 InChI Key: NZRQKXUQAXJACC-UHFFFAOYSA-O. SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)O)C(=O)O.

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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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Frequently Asked Questions

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What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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📚 Academic Support

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