Water Blue
4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
Also Known As: Water Blue|MARINE BLUE|Aniline Blue (C.I. 42755)|ANILINE BLUE, WATER SOLUBLE|4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline|2-methyl-4-{[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}aniline|4-((4-Amino-3-methylphenyl)(4-(phenylimino)cyclohexa-2,5-dien-1-ylidene)methyl)-N-phenylaniline
| Molecular Formula | C32H27N3 |
|---|---|
| Molecular Weight | 453.2205 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.2205 |
| Monoisotopic Mass | 453.2205 |
| Heavy Atoms | 35 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 756754-18-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=C2C=CC(=NC3=CC=CC=C3)C=C2)C4=CC=C(C=C4)NC5=CC=CC=C5)N |
| InChIKey | LBLFVSANTXZPEX-UHFFFAOYSA-N |
Product Overview
Water Blue (CAS 756754-18-4), with molecular formula C32H27N3 and molecular weight 453.2205 g/mol. IUPAC: 4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline.
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