3-Methyl-1-(2-phenylethyl)pyridin-1-ium bromide
Basic information
- CAS
6962-40-9- Standard SMILES
Cc1ccc[n+](CCc2ccccc2)c1.[Br-]- InChIKey
SOXDOCFQHKFCLM-UHFFFAOYSA-M- Molecular formula
- C14H16BrN
- Average molar mass
- 278.19 g/mol
- Monoisotopic mass
- 277.04661
Names & identifiers
- Preferred name
- 3-Methyl-1-(2-phenylethyl)pyridin-1-ium bromide
- IUPAC
- 3-methyl-1-(2-phenylethyl)pyridin-1-ium bromide
Names & synonyms
6962-40-93-Methyl-1-(2-phenylethyl)pyridin-1-ium bromideSCHEMBL11580547DTXSID30628211NSC35718NSC-35718
Database identifiers
- CAS
6962-40-9- PubChem CID
- 22762292
- DTXSID
DTXSID30628211
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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