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CHEBI:88207 - Hoffman's violet free base

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:
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.
fluorochrome  A fluorescent dye used to stain biological specimens.
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