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1-Hexyl-4-methylpyridin-1-ium bromide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
257.07791174
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₀BrN
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC[n+]1ccc(C)cc1.[Br-]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H20N.BrH/c1-3-4-5-6-9-13-10-7-12(2)8-11-13;/h7-8,10-11H,3-6,9H2,1-2H3;1H/q+1;/p-1
0 references
InChIKey
HEIQGUZVWWLUDQ-UHFFFAOYSA-M
0 references
CAS Registry Number
70850-60-1
0 references
PubChem CID
67055992
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
HEIQGUZVWWLUDQ-UHFFFAOYSA-M
UniChem compound ID
62246911
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20736334
1 reference
matched by identifier from
InChIKey
InChIKey
HEIQGUZVWWLUDQ-UHFFFAOYSA-M
DSSTOX compound identifier
DTXCID60687078
0 references
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