Basic information
- CAS
52806-03-8- Standard SMILES
C[n+]1ccccc1-c1ccccc1- InChIKey
ZLNAOQQGJXUMPS-UHFFFAOYSA-N- Molecular formula
- C12H12N+
- Average molar mass
- 170.23 g/mol
- Monoisotopic mass
- 170.09697439
Names & identifiers
- Preferred name
- Pyridinium, 1-methyl-2-phenyl-
- IUPAC
- 1-methyl-2-phenylpyridin-1-ium
Names & synonyms
1-Methyl-2-phenylpyridiniumPyridinium, 1-methyl-2-phenyl-52806-03-8DTXSID00200785RefChem:377069DTXCID301232761-methyl-2-phenylpyridin-1-iumCHEMBL69395SCHEMBL971423SCHEMBL7257365SCHEMBL20240512SCHEMBL20240513
Database identifiers
- CAS
52806-03-8- PubChem CID
- 40532
- DTXSID
DTXSID00200785- ChEMBL
CHEMBL69395- Nikkaji
- J259.827B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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