Basic information
- CAS
63990-91-0- Standard SMILES
OC(c1ccccc1)(c1ccc[nH+]c1)C1CCCCC1.[Cl-]- InChIKey
RLADIDBSFKIKLB-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO
- Average molar mass
- 303.8 g/mol
- Monoisotopic mass
- 303.138992
Names & identifiers
- Preferred name
- Cyclohexyl(phenyl)(pyridin-3-yl)methanol--hydrogen chloride (1/1)
- IUPAC
- cyclohexyl-phenyl-pyridin-1-ium-3-ylmethanol chloride
Names & synonyms
DTXSID90981793Cyclohexyl(phenyl)(pyridin-3-yl)methanol--hydrogen chloride (1/1)RefChem:1082630DTXCID50140906263990-91-0alpha-Cyclohexyl-alpha-(3-pyridyl)benzyl alcohol hydrochlorideEL-331BENZYL ALCOHOL, alpha-CYCLOHEXYL-alpha-(3-PYRIDYL)-, HYDROCHLORIDE
Database identifiers
- CAS
63990-91-0- PubChem CID
- 46210
Properties
Computed structural properties
- Topological polar surface area
- 34.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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