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(Q72444823)
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English
Basic Brown 4
chemical compound
4,4'-[1,3-Phenylenebis(2,1-diazenediyl)]bis-1,3-benzenediamine
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
Bismark Brown R
1 reference
based on heuristic
inferred from InChIKey
mass
460.165748192
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆Cl₂N₈
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1cc(/N=N/c2ccc(C)c(/N=N/c3cc(C)c(N)cc3N)c2)c(N)cc1N.Cl.Cl
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
Cc1cc(/N=N/c2ccc(C)c(/N=N/c3cc(C)c(N)cc3N)c2)c(N)cc1N.Cl.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H24N8.2ClH/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25;;/h4-10H,22-25H2,1-3H3;2*1H/b28-26+,29-27+;;
0 references
InChIKey
WLKAMFOFXYCYDK-CYXDXXRZSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
8005-78-5
0 references
ChemSpider ID
26501926
0 references
PubChem CID
135516985
0 references
SureChEMBL ID
SCHEMBL2400399
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WLKAMFOFXYCYDK-CYXDXXRZSA-N
DSSTox substance ID
DTXSID60892281
0 references
EC number
232-341-8
0 references
ECHA Substance Infocard ID
100.029.399
0 references
UNII
1HAD3F3XM9
1 reference
matched by identifier from
InChIKey
InChIKey
WLKAMFOFXYCYDK-CYXDXXRZSA-N
HCIS ID
5246
0 references
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