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CHEBI:88207 - Hoffman's violet free base

Default Structure
ChEBI IDCHEBI:88207
ChEBI NameHoffman's violet free base
Stars
DefinitionA aromatic amine, the hydrochloride salt of which is the histological dye 'Hoffman's violet' (used as a specific stain for animal chromosomes).
Last Modified13 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC26H31N3
Net Charge0
Average Mass385.555
Monoisotopic Mass385.25180
SMILESCCN=C1C=CC(=C(c2ccc(NCC)cc2)c2ccc(NCC)c(C)c2)C=C1
InChIInChI=1S/C26H31N3/c1-5-27-23-13-8-20(9-14-23)26(21-10-15-24(16-11-21)28-6-2)22-12-17-25(29-7-3)19(4)18-22/h8-18,27,29H,5-7H2,1-4H3/b26-21-,28-24+
InChIKeyCNMRNUFFAOLBLH-OBZJKIMVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
ChEBI Ontology
Outgoing Relation(s)
Hoffman's violet free base (CHEBI:88207) has role fluorochrome (CHEBI:51217)
Hoffman's violet free base (CHEBI:88207) has role histological dye (CHEBI:77178)
Hoffman's violet free base (CHEBI:88207) is a aromatic amine (CHEBI:33860)
Hoffman's violet free base (CHEBI:88207) is a imine (CHEBI:24783)
Hoffman's violet free base (CHEBI:88207) is a olefinic compound (CHEBI:78840)
Hoffman's violet free base (CHEBI:88207) is a secondary amino compound (CHEBI:50995)
Hoffman's violet free base (CHEBI:88207) is conjugate base of Hoffman's violet(1+) (CHEBI:88208)
Incoming Relation(s)
Hoffman's violet(1+) (CHEBI:88208) is conjugate acid of Hoffman's violet free base (CHEBI:88207)
IUPAC Name 
N-ethyl-4-{[4-(ethylamino)phenyl][4-(ethylimino)cyclohexa-2,5-dien-1-ylidene]methyl}-2-methylaniline