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CHEBI:63123 - N1,N6-bis-DNCP-1,6-hexanediamine

ChEBI IDCHEBI:63123
ChEBI NameN1,N6-bis-DNCP-1,6-hexanediamine
Stars
ASCII NameN(1),N(6)-bis-DNCP-1,6-hexanediamine
DefinitionAn N-substituted diamine that consists of 1,6-hexanediamine bearing two 2-carboxy-4,6-dinitrophenyl (DNCP) substituents at the N1- and N6-positions.
Last Modified27 October 2011
SubmitterSteve
DownloadsMolfile
FormulaC20H20N6O12
Net Charge0
Average Mass536.410
Monoisotopic Mass536.11392
SMILESO=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCCCCCNc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C20H20N6O12/c27-19(28)13-7-11(23(31)32)9-15(25(35)36)17(13)21-5-3-1-2-4-6-22-18-14(20(29)30)8-12(24(33)34)10-16(18)26(37)38/h7-10,21-22H,1-6H2,(H,27,28)(H,29,30)
InChIKeyOKONRXVXCMMCHC-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)
N1,N6-bis-DNCP-1,6-hexanediamine (CHEBI:63123) has functional parent hexane-1,6-diamine (CHEBI:39618)
N1,N6-bis-DNCP-1,6-hexanediamine (CHEBI:63123) is a C-nitro compound (CHEBI:35716)
N1,N6-bis-DNCP-1,6-hexanediamine (CHEBI:63123) is a N-substituted diamine (CHEBI:50441)
N1,N6-bis-DNCP-1,6-hexanediamine (CHEBI:63123) is a benzoic acids (CHEBI:22723)
IUPAC Name 
2,2'-(hexane-1,6-diyldiimino)bis(3,5-dinitrobenzoic acid)
Synonyms  Source
N1,N6-bis-(2-carboxy-4,6-dinitrophenyl)-1,6-hexanediamineChEBI
N1,N6-bis-DNCP-hexane-1,6-diamineChEBI
N1,N6-bis-(2-carboxy-4,6-dinitrophenyl)hexane-1,6-diamineChEBI
Citations