4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate

Base Information

• Chemical Name: 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate
• CAS No.: 2666-17-3
• Molecular Formula: C23H18N3NaO6S
• Molecular Weight: 487.49
• Hs Code.: 32041200
• European Community (EC) Number: 220-201-9
• Mol file: 2666-17-3.mol

Synonyms:4-[4-[acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate;2666-17-3;C23H18N3O6S.Na;2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[p-(N-methylacetamido)anilino]-9,10-dioxo-, monosodium salt;2-Anthracenesulfonic acid, 4-[[4-(acetylmethylamino) phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt

Chemical Property of 4-[4-[Acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonate

Chemical Property:

• Appearance/Colour: Purple to dark violet powder
• PSA: 158.08000
• Density: 1.542 g/cm3
• LogP: 4.40960
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 464.09163148
• Heavy Atom Count: 33
• Complexity: 881

Purity/Quality:

99%min ^*data from raw suppliers

ACID BLUE 41 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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