Bandrowski's base (CHEBI:53109)

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ChEBI Name	Bandrowski's base

ChEBI ID	CHEBI:53109

Definition	A quinone imine having amino substituents in the 2- and 5-positions and 4-aminophenyl substituents on both of the imine nitrogens. It is a trimer formed from 1,4-phenylenediamine.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H18N6

Net Charge

Average Mass

318.37570

Monoisotopic Mass

318.15929

InChI

InChI=1S/C18H18N6/c19-11-1-5-13(6-2-11)23-17-9-16(22)18(10-15(17)21)24-14-7-3-12(20)4-8-14/h1-10H,19-22H2/b23-17+,24-18+

InChIKey

KKJZEUXMWDXPAU-GJHDBBOXSA-N

SMILES

Nc1ccc(cc1)\N=C1/C=C(N)\C(\C=C/1N)=N\c1ccc(N)cc1

Roles Classification
Biological Role(s):	mutagen An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution. allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.

ChEBI Ontology
Outgoing	Bandrowski's base (CHEBI:53109) has functional parent 1,4-phenylenediamine (CHEBI:51403) Bandrowski's base (CHEBI:53109) has role allergen (CHEBI:50904) Bandrowski's base (CHEBI:53109) has role mutagen (CHEBI:25435) Bandrowski's base (CHEBI:53109) is a quinone imine (CHEBI:50193)

IUPAC Name

N¹,N¹'-(2,5-diaminocyclohexa-2,5-diene-1,4-diylidene)dibenzene-1,4-diamine

Synonyms	Sources
3,6-bis((p-aminophenyl)imino)-1,4-cyclohexadiene-1,4-diamine	ChemIDplus
3,6-bis[(p-aminophenyl)imino ]cyclohexa-1,4-diene-1,4-diamine	ChEBI
BB	ChEBI

Last Modified

20 May 2013