Ammonium 4-[[9,10-Dihydro-4-(Methylamino)-9,10-Dioxoanthryl]Amino]Toluene-3-Sulphonate
[CAS# 83006-62-6]

Identification

• Name: Ammonium 4-[[9,10-Dihydro-4-(Methylamino)-9,10-Dioxoanthryl]Amino]Toluene-3-Sulphonate
• Synonyms: Ammonium 5-Methyl-2-[(4-Methylamino-9,10-Dioxo-1-Anthryl)Amino]Benzenesulfonate; Ammonium 2-[(9,10-Diketo-4-Methylamino-1-Anthryl)Amino]-5-Methyl-Benzenesulfonate; Azanium 5-Methyl-2-[(4-Methylamino-9,10-Dioxo-Anthracen-1-Yl)Amino]Benzenesulfonate
• Molecular Formula: C₂₂H₂₁N₃O₅S
• Molecular Weight: 439.49
• CAS Registry Number: 83006-62-6
• EINECS: 280-112-6
• SMILES: C1=CC(=C4C(=C1NC2=C([S]([O-])(=O)=O)C=C(C=C2)C)C(=O)C3=CC=CC=C3C4=O)NC.[NH4+]
• InChI: 1S/C22H18N2O5S.H3N/c1-12-7-8-15(18(11-12)30(27,28)29)24-17-10-9-16(23-2)19-20(17)22(26)14-6-4-3-5-13(14)21(19)25;/h3-11,23-24H,1-2H3,(H,27,28,29);1H3
• InChIKey: OWLQUTKWFDQXHP-UHFFFAOYSA-N

Properties

• Boiling point: 736.3°C at 760 mmHg (Cal.)
• Flash point: 399.1°C (Cal.)