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CHEBI:71233 - 3-nitrotyramine

ChEBI IDCHEBI:71233
ChEBI Name3-nitrotyramine
Stars
DefinitionTyramine substituted at position 3 by a nitro group.
Last Modified21 October 2015
SubmitterMaria Jose
DownloadsMolfile
FormulaC8H10N2O3
Net Charge0
Average Mass182.179
Monoisotopic Mass182.06914
SMILESNCCc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c9-4-3-6-1-2-8(11)7(5-6)10(12)13/h1-2,5,11H,3-4,9H2
InChIKeyIUCYCHQMRZWPGT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-nitrotyramine (CHEBI:71233) has functional parent tyramine (CHEBI:15760)
3-nitrotyramine (CHEBI:71233) is a 2-nitrophenols (CHEBI:86421)
3-nitrotyramine (CHEBI:71233) is a tyramines (CHEBI:27175)
3-nitrotyramine (CHEBI:71233) is tautomer of 3-nitrotyramine zwitterion (CHEBI:71286)
Incoming Relation(s)
3-nitrotyramine zwitterion (CHEBI:71286) is tautomer of 3-nitrotyramine (CHEBI:71233)
IUPAC Name 
4-(2-aminoethyl)-2-nitrophenol
Synonyms  Source
4-hydroxy-3-nitrophenethylamineChEBI
1-amino-2-(3-nitro-4-hydroxyphenyl)ethaneChEBI
Registry NumbersSources
Reaxys:2837315Reaxys
Citations