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

Go to external page http://purl.obolibrary.org/obo/CHEBI_53649

An N-substituted diamine that consists of 1,6-hexanediamine bearing a 2,4-dinitro-6-carboxyphenyl substituent.

Term info

Label

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

Synonyms
  • 2-[(6-aminohexyl)amino]-3,5-dinitrobenzoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2-[(6-aminohexyl)amino]-3,5-dinitrobenzoic acid [ IUPAC ]

charge

0

formula

C13H18N4O6

has obo namespace

chebi_ontology

has related synonym

o-DNCP-HEX-NH2

id

CHEBI:53649

inchi

InChI=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)

inchikey

PEGSMPHAYGPKIY-UHFFFAOYSA-N

mass

326.30520

monoisotopicmass

326.12263

smiles

NCCCCCCNc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O