Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1)

[6-amino-9-(2-carboxyphenyl)xanthen-3-ylidene]azanium;hydrogen sulfate

CAS: 63549-46-2

Molecular Formula	`C20H16N2O7S`
Molecular Weight	428.4 g/mol
Topological Polar Surface Area	184.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	2
Exact Mass	428.0678
Heavy Atoms	30
Complexity	731.0

Chemical Identifiers

CAS Number	63549-46-2
SMILES	`C1=CC=C(C(=C1)C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N)C(=O)O.OS(=O)(=O)[O-]`
InChIKey	`SFISRNPASMXQOX-UHFFFAOYSA-N`

📖 Product Overview

Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1) (CAS: 63549-46-2) is a chemical compound with molecular formula C20H16N2O7S and molecular weight 428.4 g/mol. Its IUPAC systematic name is [6-amino-9-(2-carboxyphenyl)xanthen-3-ylidene]azanium;hydrogen sulfate. Topological Polar Surface Area 184.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 2 Exact Mass 428.0678 Heavy Atoms 30 Complexity 731.0 InChI Key: SFISRNPASMXQOX-UHFFFAOYSA-N. SMILES: C1=CC=C(C(=C1)C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N)C(=O)O.OS(=O)(=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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