1,2,6-Trimethylpyridinium
Basic information
- CAS
33718-19-3- Standard SMILES
Cc1cccc(C)[n+]1C- InChIKey
ZINLZPLHQBBPEI-UHFFFAOYSA-N- Molecular formula
- C8H12N+
- Average molar mass
- 122.19 g/mol
- Monoisotopic mass
- 122.09697439
Names & identifiers
- Preferred name
- 1,2,6-Trimethylpyridinium
- IUPAC
- 1,2,6-trimethylpyridin-1-ium
Names & synonyms
1,2,6-trimethylpyridinium33718-19-3DTXSID30274590RefChem:215414DTXCID402260601,2,6-trimethylpyridin-1-iumPyridinium, 1,2,6-trimethyl-SCHEMBL1277062C8H12N+AC-907/25004824
Database identifiers
- CAS
33718-19-3- PubChem CID
- 17310
- DTXSID
DTXSID30274590- Nikkaji
- J259.820E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 1
- Complexity
- 80.6
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Compound notes
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