Basic information
- CAS
486997-77-7- Standard SMILES
OCc1cccc[n+]1CCc1ccccc1- InChIKey
UBVAUDSYAZGUDY-UHFFFAOYSA-N- Molecular formula
- C14H16NO+
- Average molar mass
- 214.28 g/mol
- Monoisotopic mass
- 214.12318913
Names & identifiers
- Preferred name
- [1-(2-Phenylethyl)pyridin-1-ium-2-yl]methanol
- IUPAC
- [1-(2-phenylethyl)pyridin-1-ium-2-yl]methanol
- English name
- 2-(hydroxymethyl)-1-(2-phenylethyl)pyridinium
- Molecular formula
- C14H16NO+
- Molecular weight
- 214.28294
Names & synonyms
2-(hydroxymethyl)-1-(2-phenylethyl)pyridiniumCHEMBL1623830[1-(2-phenylethyl)pyridin-1-ium-2-yl]methanolAI-204/31679013
Database identifiers
- CAS
486997-77-7- PubChem CID
- 900973
- ChEMBL
CHEMBL1623830
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 189
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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