Basic information
- CAS
14855-76-6- Standard SMILES
CC[N+](C)(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1- InChIKey
ZRJYQNPSWSGCMS-UHFFFAOYSA-N- Molecular formula
- C27H35N3+2
- Average molar mass
- 401.6 g/mol
- Monoisotopic mass
- 401.28309813
Overview
Ethyl green(2+) is an iminium ion that forms the cationic portion of the histological dye 'ethyl green'. It is a quaternary ammonium ion and an iminium ion.
Names & identifiers
- Preferred name
- Ethyl Green cation
- IUPAC
- [4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-ethyl-dimethylazanium
- English name
- N,N-Dimethyl-4-[α-[4-(dimethylamino)phenyl]-4-(ethyldimethylaminio)benzylidene]-2,5-cyclohexadiene-1-ylideneiminium
- Molecular formula
- C27H35N3+2
- Molecular weight
- 401.5869
Names & synonyms
Ethyl Green cation22244-13-96W089995NTDTXSID40864542Benzenaminium, 4-((4-(dimethylamino)phenyl)(4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene)methyl)-N-ethyl-N,N-dimethyl-RefChem:1085043DTXCID50813046NSC3091UNII-6W089995NTethyl green(2+)CHEMBL2009112SCHEMBL12671027
Show more names
N,N-Dimethyl-4-[α-[4-(dimethylamino)phenyl]-4-(ethyldimethylaminio)benzylidene]-2,5-cyclohexadiene-1-ylideneiminium4-[[4-(Dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-N,N-dimethylbenzenaminiumN-[4-[[4-(Dimethylamino)phenyl][4-(ethyldimethylaminio)phenyl]methylene]-2,5-cyclohexadienylidene]-N-methylmethanaminium
CHEBI:88289N,N-Dimethyl-4-[alpha-[4-(dimethylamino)phenyl]-4-(ethyldimethylaminio)benzylidene]-2,5-cyclohexadiene-1-ylideneiminiumNCI60_002649Q27160165[4-([4-(dimethylamino)phenyl]{4-[ethyl(dimethyl)azaniumyl]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene](dimethyl)ammonium[4-([4-(Dimethylamino)phenyl]{4-[ethyldi(methyl)azaniumyl]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene]di(methyl)ammonium[4-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-ethyl-dimethyl-ammonium[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-ethyl-dimethylazanium
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 2
- Complexity
- 645
Physicochemical properties
- FDA UNII
- 6 W089995NT · 6W089995NT
Chemistry & industry
Additional notes
DefinitionChEBI: Ethyl green(1+) is an iminium ion that forms the cationic portion of the histological dye 'ethyl green'. It is an iminium ion and a quaternary ammonium ion.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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