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

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ChEBI Name 7-nitrobenzoxadiazole-6-aminohexanoic acid
ChEBI ID CHEBI:52162
Definition A benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at positions 4 and 7 by (5-carboxypentyl)amino and nitro groups, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H14N4O5
Net Charge 0
Average Mass 294.26340
Monoisotopic Mass 294.09642
InChI InChI=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)
InChIKey DJFNQJJTTPMBIL-UHFFFAOYSA-N
SMILES OC(=O)CCCCCNc1ccc([N+]([O-])=O)c2nonc12
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
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ChEBI Ontology
Outgoing 7-nitrobenzoxadiazole-6-aminohexanoic acid (CHEBI:52162) has role fluorochrome (CHEBI:51217)
7-nitrobenzoxadiazole-6-aminohexanoic acid (CHEBI:52162) is a ε-amino acid (CHEBI:35958)
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)
IUPAC Name
6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoic acid
Synonyms Sources
6-[N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]hexanoic acid ChEBI
N-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-6-aminohexanoic acid ChemIDplus
Nbd-amha ChemIDplus
NBD-X ChEBI
Registry Number Type Source
88235-25-0 CAS Registry Number ChemIDplus
Last Modified
21 June 2014