Basic information
- CAS
18198-35-1- Standard SMILES
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1- InChIKey
HXCILVUBKWANLN-UHFFFAOYSA-N- Molecular formula
- C27H33N2+
- Average molar mass
- 385.6 g/mol
- Monoisotopic mass
- 385.26437406
Overview
Brilliant green cation is an iminium ion that is the cationic component of the histological dye 'brilliant green'. It has a role as an antibacterial agent, an antiseptic drug, a fluorochrome, a poison, a histological dye and an environmental contaminant.
Names & identifiers
- Preferred name
- N-(4-((4-(Diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium
- IUPAC
- [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
- English name
- diethyl[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]ammonium
- Molecular formula
- C27H33N2+
- Molecular weight
- 385.56432
Names & synonyms
Brilliant Green cation18198-35-1Brilliant green ionbrilliant green(1+)S85JD8CLBHCHEBI:88176DTXSID401712234-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium4-((4-(diethylamino)phenyl)(phenyl)methylidene)-N,N-diethylcyclohexa-2,5-dien-1-iminiumBrilliant green, freeRefChem:1091209DTXCID0093714
Show more names
Einecs 242-088-5diethyl[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]ammoniumN,N-Diethyl-4-[α-[4-(diethylamino)phenyl]benzylidene]-2,5-cyclohexadiene-1-ylideneiminiumN,N-Diethyl-N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadienylidene]iminiumN-[4-[[4-(Diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium
242-088-5N-(4-((4-(Diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminiumBrilliant green, free formN-(4-((4-(diethylamino)phenyl)(phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminiumAvon Green A-4379MLS001359824SR-01000879529NCGC00166123-01
Database identifiers
- CAS
18198-35-1、633-03-4- PubChem CID
- 12450
- DTXSID
DTXSID40171223- ChEMBL
CHEMBL1589793- ChEBI
CHEBI:88176- UNII
- S85JD8CLBH
- EC Number
- 242-088-5
- Nikkaji
- J231.670F
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 1
- Complexity
- 566
Physicochemical properties
- FDA UNII
- 85 JD8CLBH · S85JD8CLBH
Chemistry & industry
Additional notes
DefinitionChEBI: Brilliant green cation is an iminium ion that is the cationic component of the histological dye 'brilliant green'. It has a role as an antibacterial agent, an antiseptic drug, an environmental contaminant, a fluorochrome, a histological dye and a poison.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…