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CHEBI:52162 - 7-nitrobenzoxadiazole-6-aminohexanoic acid

ChEBI IDCHEBI:52162
ChEBI Name7-nitrobenzoxadiazole-6-aminohexanoic acid
Stars
DefinitionA benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at positions 4 and 7 by (5-carboxypentyl)amino and nitro groups, respectively.
Last Modified21 June 2014
SubmitterInma Spiteri
DownloadsMolfile
FormulaC12H14N4O5
Net Charge0
Average Mass294.267
Monoisotopic Mass294.09642
SMILESO=C(O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12
InChIInChI=1S/C12H14N4O5/c17-10(18)4-2-1-3-7-13-8-5-6-9(16(19)20)12-11(8)14-21-15-12/h5-6,13H,1-4,7H2,(H,17,18)
InChIKeyDJFNQJJTTPMBIL-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
7-nitrobenzoxadiazole-6-aminohexanoic acid (CHEBI:52162) has role fluorochrome (CHEBI:51217)
7-nitrobenzoxadiazole-6-aminohexanoic acid (CHEBI:52162) is a C-nitro compound (CHEBI:35716)
7-nitrobenzoxadiazole-6-aminohexanoic acid (CHEBI:52162) is a benzoxadiazole (CHEBI:46829)
7-nitrobenzoxadiazole-6-aminohexanoic acid (CHEBI:52162) is a secondary amino compound (CHEBI:50995)
7-nitrobenzoxadiazole-6-aminohexanoic acid (CHEBI:52162) is a ε-amino acid (CHEBI:35958)
IUPAC Name 
6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoic acid
Synonyms  Source
Nbd-amhaChemIDplus
N-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-6-aminohexanoic acidChemIDplus
NBD-XChEBI
6-[N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]hexanoic acidChEBI
Registry NumbersSources
CAS:88235-25-0ChemIDplus