Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, barium salt

Base Information

• Chemical Name: Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, barium salt
• CAS No.: 68399-73-5
• Molecular Formula: C74H70BaN4O12S4
• Molecular Weight: 1472.9542
• European Community (EC) Number: 269-984-9
• DSSTox Substance ID: DTXSID301341131
• Mol file: 68399-73-5.mol

Synonyms:EINECS 269-984-9;68399-73-5;Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, barium salt;Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, barium salt (2:1);Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, barium salt;C37H36N2O6S2.1/2Ba;C37-H36-N2-O6-S2.1/2Ba;Dihydrogen (ethyl)(4-(alpha-(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammonium, barium salt;Dihydrogen (ethyl)[4-[alpha-[4-[ethyl(3-sulphonatobenzyl)amino]phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, barium salt;Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, barium salt;DTXSID301341131;Barium bis{3-[(ethyl{4-[{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}(phenyl)methylidene]cyclohexa-2,5-dien-1-yl}azaniumyl)methyl]benzenesulfonate}

Chemical Property of Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, barium salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 274.82000
• Density: g/cm³
• LogP: 16.56880
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 18
• Exact Mass: 1472.292555
• Heavy Atom Count: 95
• Complexity: 1250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Ba+2]