Water Blue structure

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

CAS: 756754-18-4
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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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