Benzyl alcohol, alpha-(1-(1-imidazolyl)ethyl)-4-phenethyl-, hydrochloride
Basic information
- CAS
77234-91-4- Standard SMILES
CC(c1cc(CCc2ccccc2)ccc1CO)[NH+]1C=CN=C1.[Cl-]- InChIKey
UFDHMHUTGWPJHQ-UHFFFAOYSA-N- Molecular formula
- C20H23ClN2O
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.1498911
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-(1-(1-imidazolyl)ethyl)-4-phenethyl-, hydrochloride
- IUPAC
- [2-[1-(1H-imidazol-1-ium-1-yl)ethyl]-4-(2-phenylethyl)phenyl]methanol chloride
Names & synonyms
1-Propanol, 1-(p-phenethylphenyl)-2-(1-imidazolyl)-, hydrochloride77234-91-4BENZYL ALCOHOL, alpha-(1-(1-IMIDAZOLYL)ETHYL)-4-PHENETHYL-, HYDROCHLORIDERefChem:328593
Database identifiers
- CAS
77234-91-4- PubChem CID
- 53627
Properties
Computed structural properties
- Topological polar surface area
- 37 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
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Compound notes
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