C.I. Acid Blue 75
[4-[[4-[benzyl-[(3-sulfophenyl)methyl]amino]phenyl]-[4-(dimethylamino)-2-sulfophenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Also Known As: C.I. Acid Blue 75|Acidal Fast Violet|Merantine Cyanine A|Eriocyanine A|Calcocid Fast Violet BG|C.I. Acid Blue 75, sodium salt|C.I. Acid Blue 75,sodium salt|C.I. 42576|[4-[[4-[benzyl-[(3-sulfophenyl)methyl]amino]phenyl]-[4-(dimethylamino)-2-sulfophenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium|Methanaminium, N-(4-((4-(dimethylamino)-2-sulfophenyl)(4-((phenylmethyl)((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, inner salt, sodium salt|Methanaminium, N-(4-((4-(dimethylamino)-2-sulfophenyl)(4-((phenylmethyl)((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, inner salt, sodium salt (1:1)|Methanaminium, N-(4-((4-(dimethylamino)-2-sulfophenyl)(4-((phenylamino)((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, hydroxide, inner salt, sodium salt|Methanaminium,5-cyclohexadien-1-ylidene]-N-methyl-, hydroxide, inner salt, sodium salt|4-{(4-{Benzyl[(3-sulfophenyl)methyl]amino}phenyl)[4-(dimethylamino)-2-sulfophenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium|611-724-7|Methanaminium, N-[4-[[4-(dimethylamino)-2-sulfophenyl][4-[(phenylamino)[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, hydroxide, inner salt, sodium salt|Methanaminium, N-[4-[[4-(dimethylamino)-2-sulfophenyl][4-[(phenylmethyl)[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt, sodium salt|Methanaminium, N-[4-[[4-(dimethylamino)-2-sulfophenyl][4-[(phenylmethyl)[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt, sodium salt (1:1)
| Molecular Formula | C37H38N3O6S2+ |
|---|---|
| Molecular Weight | 684.2202 g/mol |
| LogP | 6.0938 |
| Topological Polar Surface Area | 118.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 684.2202 |
| Monoisotopic Mass | 684.2202 |
| Heavy Atoms | 48 |
| Complexity | 2147.595 |
Chemical Identifiers
| CAS Number | 5863-54-7 |
|---|---|
| SMILES | CN(C)C1=CC(=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(CC4=CC=CC=C4)CC5=CC(=CC=C5)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
C.I. Acid Blue 75 (CAS 5863-54-7), with molecular formula C37H38N3O6S2+ and molecular weight 684.2202 g/mol. IUPAC: [4-[[4-[benzyl-[(3-sulfophenyl)methyl]amino]phenyl]-[4-(dimethylamino)-2-sulfophenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.
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