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Ethanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-

HCID 16956
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Basic information

CAS
25275-06-3
Standard SMILES
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)cc1
InChIKey
VYYRJGKHDDYUGK-UHFFFAOYSA-N
Molecular formula
C31H42N3+
Average molar mass
456.7 g/mol
Monoisotopic mass
456.33787335

Overview

Ethyl violet cation is an iminium ion that is the cationic component of the histological dye 'ethyl violet'. It has a role as a fluorochrome and a histological dye.

Names & identifiers

Preferred name
Ethanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-
IUPAC
[4-[bis[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium
English name
ethyl violet
Molecular formula
C31H42N3
Molecular weight
456.69

Names & synonyms

DTXSID70859724Ethanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-Ethanaminium, N-(4-(bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-RefChem:591619DTXCID80196859Ethyl Violet cation25275-06-347743-68-0BIS[4-(DIETHYLAMINO)PHENYL][4-(DIETHYLAMMONIO)PHENYL]METHYLIUM4-{bis[4-(diethylamino)phenyl]methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminiumMLS001359914Ethyl Violet ion
Show more names
N,N-Diethyl-4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadienylideneaminiumN,N-Diethyl-4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadiene-1-ylideneiminiumN-[4-[Bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium
ethyl violet carbocationSMR001224407C.I. Basic Violet 4, carbonium ionEthyl violet, carbonium ionBis(4-(diethylamino)phenyl)(4-(diethylammonio)phenyl)methyliumEINECS 246-781-3ethyl violet(1+)Methylium, tris(4-(diethylamino)phenyl)-

Properties

Computed structural properties

XLogP
7
Topological polar surface area
9.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
10
Heavy atoms
34
Formal charge
1
Complexity
615

Physicochemical properties

EPA Substance Registry System
4 · Ethanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl- (47743-68-0)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-: INACTIVE

Additional notes

DefinitionChEBI: Ethyl violet cation is an iminium ion that is the cationic component of the histological dye 'ethyl violet'. It has a role as a fluorochrome and a histological dye.

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Compound notes

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Database identifiers

CAS
25275-06-3、47743-68-0
PubChem CID
16956
DTXSID
DTXSID70859724
ChEMBL
CHEMBL1739790
ChEBI
CHEBI:88012
EC Number
246-781-3
Nikkaji
J236.113B、J245.615J