(Q27123965)

1,4-cyclohexadiene-1,4-diamine, 3,6-bis((p-aminophenyl)imino)- (English)

6 October 2016

chemical formula

C₁₈H₁₈N₆

0 references

canonical SMILES

C=1C=C(C=CC1N)N=C2C=C(C(C=C2N)=NC3=CC=C(C=C3)N)N

1 reference

Bandrowski's base (English)

6 October 2016

isomeric SMILES

C=1C=C(C=CC1N)/N=C/2\C=C(\C(\C=C2N)=N\C3=CC=C(C=C3)N)N

1 reference

Bandrowski's base (English)

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+

6 October 2016

Identifiers

InChI

1 reference

Bandrowski's base (English)

KKJZEUXMWDXPAU-GJHDBBOXSA-N

6 October 2016

InChIKey

1 reference

stated in

ChEBI release 2020-09-01

1 reference

Bandrowski's base (English)

6 October 2016

1 reference

1,4-cyclohexadiene-1,4-diamine, 3,6-bis((p-aminophenyl)imino)- (English)

6 October 2016

Reaxys registry number

3038033

1 reference

Bandrowski's base (English)

6 October 2016

ChEBI ID

53109

mapping relation type

2 references

Bandrowski's base (English)

matched by identifier from

6 October 2016

International Chemical Identifier

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+

DSSTox substance ID

DTXSID9044031

0 references

DSSTOX compound identifier

0 references

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

112870