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CHEBI:63557 - Disperse Red 1

ChEBI IDCHEBI:63557
ChEBI NameDisperse Red 1
Stars
DefinitionAn azo dye with a structure consisting of nitrobenzene substituted on the 4-position of the phenyl group with a 4-[N-ethyl-N-(2-hydroxyethyl)]phenylazo group.
Last Modified12 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H18N4O3
Net Charge0
Average Mass314.345
Monoisotopic Mass314.13789
SMILESCCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H18N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,21H,2,11-12H2,1H3/b18-17+
InChIKeyFOQABOMYTOFLPZ-ISLYRVAYSA-N
Roles Classification
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
Disperse Red 1 (CHEBI:63557) has functional parent azobenzene (CHEBI:190358)
Disperse Red 1 (CHEBI:63557) has role allergen (CHEBI:50904)
Disperse Red 1 (CHEBI:63557) has role dye (CHEBI:37958)
Disperse Red 1 (CHEBI:63557) is a azobenzenes (CHEBI:22682)
Disperse Red 1 (CHEBI:63557) is a monoazo compound (CHEBI:48959)
IUPAC Name 
2-(ethyl{4-[(E)-(4-nitrophenyl)diazenyl]phenyl}amino)ethanol
Synonyms  Source
4-[ethyl(2-hydroxyethyl)amino]-4'-nitroazobenzeneChEBI
2-[N-ethyl-4-(4-nitrophenylazo)phenyl-amino]ethanolChEBI
4-[N-ethyl-N-(β-hydroxyethyl)]amino-4'-nitroazobenzeneChEBI
4-[N-(2-hydroxyethyl)-N-ethylamino]-4'-nitroazobenzeneChEBI
trans-4-[N-ethyl-N-(2-hydroxyethyl)amino]-4'-nitroazobenzeneChEBI
Disperse Scarlet BChemIDplus
Registry NumbersSources
Reaxys:5353614Reaxys
CAS:2872-52-8ChemIDplus
Citations