Acid Blue 109

Base Information

• Chemical Name: Acid Blue 109
• CAS No.: 7253-35-2
• Molecular Formula: C45H45 N3 O6 S2 . Na
• Molecular Weight: 788.9927
• NSC Number: 51544
• DSSTox Substance ID: DTXSID20422684
• Mol file: 7253-35-2.mol

Synonyms:Acid Blue 109;C.I. Acid Blue 109;7253-35-2;DTXSID20422684;NSC51544;NSC-51544;Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl][4-(phenylamino)phenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, monosodium salt;Benzenemethanaminium,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, monosodium salt

Chemical Property of Acid Blue 109

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 788.28280354
• Heavy Atom Count: 56
• Complexity: 1560

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=C3C)C5=CC=C(C=C5)NC6=CC=CC=C6)C
• Isomeric SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=C(C=C2)/C(=C\3/C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3C)/C5=CC=C(C=C5)NC6=CC=CC=C6)C