Acid Blue 15

Base Information

• Chemical Name: Acid Blue 15
• CAS No.: 5863-46-7
• Molecular Formula: C42H47N3O6S2.Na
• Molecular Weight: 776.95
• European Community (EC) Number: 227-511-3
• DSSTox Substance ID: DTXSID20974173
• Mol file: 5863-46-7.mol

Synonyms:Acid Blue 15;5863-46-7;EINECS 227-511-3;sodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate;Benzenemethanaminium, N-(4-((4-(diethylamino)-2-methylphenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt;Benzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt;Benzenemethanaminium, N-(4-((4-(diethylamino)-2-methylphenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt;Benzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt;Hydrogen (4-((4-(diethylamino)-o-tolyl)(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium, sodium salt;Hydrogen [4-[[4-(diethylamino)-o-tolyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt;C.I. ACID BLUE 15, SODIUM SALT;C42H47N3O6S2.Na;SCHEMBL5450183;DTXSID20974173;C42-H47-N3-O6-S2.Na;Benzenemethanaminium, N-[4-[[4-(diethylamino)-2- methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino ]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]- N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt;Benzenemethanaminium, N-(4-((4-(diethylamino)-2-methylphenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1);sodium 3-(((4-((Z)-(4-(diethylamino)-2-methylphenyl)((Z)-4-(ethyl(3-sulfonatobenzyl)iminio)cyclohexa-2,5-dienylidene)methyl)phenyl)(ethyl)amino)methyl)benzenesulfonate;Sodium 3-{[(4-{[4-(diethylamino)-2-methylphenyl](4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)(ethyl)azaniumyl]methyl}benzene-1-sulfonate

Chemical Property of Acid Blue 15

Chemical Property:

• PSA: 140.65000
• Density: 1.342[at 20℃]
• LogP: 9.43900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 775.27257282
• Heavy Atom Count: 54
• Complexity: 1410

Purity/Quality:

99.9% ^*data from raw suppliers

ACID BLUE 15 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC(=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC(=CC=C3)S(=O)(=O)[O-])C=C2)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-])C.[Na+]