1-Amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

Base Information

• Chemical Name: 1-Amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
• CAS No.: 59836-93-0
• Molecular Formula: C21H17N3O5S
• Molecular Weight: 423.4418
• NSC Number: 115361
• DSSTox Substance ID: DTXSID40297311
• Wikidata: Q82038340
• ChEMBL ID: CHEMBL3728494

Synonyms:59836-93-0;1-amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid;NSC115361;SCHEMBL2779595;CHEMBL3728494;DTXSID40297311;NSC-115361

Chemical Property of 1-Amino-4-{[4-(methylamino)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.57g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 423.08889182
• Heavy Atom Count: 30
• Complexity: 774

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

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