Basic information
- CAS
7438-47-3- Standard SMILES
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc([N+](C)(C)C)cc2)cc1- InChIKey
CKTYULMXIIQZGG-UHFFFAOYSA-N- Molecular formula
- C26H33N3+2
- Average molar mass
- 387.6 g/mol
- Monoisotopic mass
- 387.26744807
Overview
Methyl green(2+) is an iminium ion that forms the cationic portion of the histological dye 'methyl green'. It is a quaternary ammonium ion and an iminium ion.
Names & identifiers
- Preferred name
- Methyl Green cation
- IUPAC
- [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium
- English name
- Methyl green
- Molecular formula
- C26H33N3+2
- Molecular weight
- 387.56032
Names & synonyms
Methyl Green cation105IDS5C5F7438-47-34-((4-(Dimethylamino)phenyl)(4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene)methyl)-N,N,N-trimethylbenzenaminiumBenzenaminium, 4-((4-(dimethylamino)phenyl)(4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene)methyl)-N,N,N-trimethyl-Ammonium, (alpha-(p-(dimethylamino)phenyl)-alpha-(4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene)-p-tolyl)trimethyl-RefChem:1089574methyl green(2+)UNII-105IDS5C5F[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazaniumCHEBI:87650Q27159803
Show more names
Dimethyl[4-[[4-(dimethylamino)phenyl][4-(trimethylaminio)phenyl]methylene]-2,5-cyclohexadiene-1-ylidene]aminium4-[[4-(Dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N,N,N-trimethylbenzenaminium
(4-{[4-(dimethylamino)phenyl][4-(trimethylazaniumyl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)(dimethyl)ammoniumAMMONIUM, (.ALPHA.-(P-(DIMETHYLAMINO)PHENYL)-.ALPHA.-(4-(DIMETHYLIMINIO)-2,5-CYCLOHEXADIEN-1-YLIDENE)-P-TOLYL)TRIMETHYL-
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 2
- Complexity
- 625
Physicochemical properties
- FDA UNII
- 105 IDS5C5F · 105IDS5C5F
Chemistry & industry
Additional notes
DefinitionChEBI: Methyl green(2+) is an iminium ion that forms the cationic portion of the histological dye 'methyl green'. It is an iminium ion and a quaternary ammonium ion.
Related reactions
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Compound notes
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