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CHEBI:53649 - N-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane

ChEBI IDCHEBI:53649
ChEBI NameN-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane
Stars
ASCII NameN-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane
DefinitionAn N-substituted diamine that consists of 1,6-hexanediamine bearing a 2,4-dinitro-6-carboxyphenyl substituent.
Last Modified27 October 2011
SubmitterSteve
DownloadsMolfile
FormulaC13H18N4O6
Net Charge0
Average Mass326.309
Monoisotopic Mass326.12263
SMILESNCCCCCCNc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N4O6/c14-5-3-1-2-4-6-15-12-10(13(18)19)7-9(16(20)21)8-11(12)17(22)23/h7-8,15H,1-6,14H2,(H,18,19)
InChIKeyPEGSMPHAYGPKIY-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).
ChEBI Ontology
Outgoing Relation(s)
N-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane (CHEBI:53649) has functional parent hexane-1,6-diamine (CHEBI:39618)
N-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane (CHEBI:53649) is a C-nitro compound (CHEBI:35716)
N-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane (CHEBI:53649) is a N-substituted diamine (CHEBI:50441)
N-(2,4-dinitro-6-carboxy)phenyl-1.6-diaminohexane (CHEBI:53649) is a benzoic acids (CHEBI:22723)
IUPAC Name 
2-[(6-aminohexyl)amino]-3,5-dinitrobenzoic acid
Synonym  Source
o-DNCP-HEX-NH2ChEBI
Registry NumbersSources
Beilstein:6534043Beilstein
Citations