loading...| Preferred Name |
Bandrowski's base |
| Synonyms |
3,6-bis((p-aminophenyl)imino)-1,4-cyclohexadiene-1,4-diamine N(1),N(1)'-(2,5-diaminocyclohexa-2,5-diene-1,4-diylidene)dibenzene-1,4-diamine 3,6-bis[(p-aminophenyl)imino ]cyclohexa-1,4-diene-1,4-diamine BB |
| Definitions |
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. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_53109 |
| charge |
0 |
| database_cross_reference |
CAS:20048-27-5 Beilstein:2395527 PMID:22592985 PMID:19136049 PMID:18844695 PMID:10771133 PMID:17014438 PMID:22927343 PMID:9540973 Beilstein:3038033 Beilstein:11464709 PMID:8735869 PMID:20180511 PMID:19657353 PMID:17914451 PMID:11981821 Reaxys:3038033 PMID:22592989 PMID:2195336 PMID:12160146 |
| 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. |
| formula |
C18H18N6 |
| has_exact_synonym |
N(1),N(1)'-(2,5-diaminocyclohexa-2,5-diene-1,4-diylidene)dibenzene-1,4-diamine |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
3,6-bis((p-aminophenyl)imino)-1,4-cyclohexadiene-1,4-diamine 3,6-bis[(p-aminophenyl)imino ]cyclohexa-1,4-diene-1,4-diamine BB |
| id |
CHEBI:53109 |
| in_subset | |
| 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 |
| label |
Bandrowski's base |
| mass |
318.37570 |
| monoisotopicmass |
318.15929 |
| notation |
CHEBI:53109 |
| prefLabel |
Bandrowski's base |
| smiles |
Nc1ccc(cc1)N=C1/C=C(N)\C(\C=C/1N)=N\c1ccc(N)cc1 |
| subClassOf |