Basic information
- CAS
20809-03-4- Standard SMILES
CC(=O)c1ccc(OCC[NH+](C)C)cc1O.[Cl-]- InChIKey
CQPMRCVWKOILCP-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO3
- Average molar mass
- 259.73 g/mol
- Monoisotopic mass
- 259.0975211
Names & identifiers
- Preferred name
- Acetophenone, 4'-(2-(dimethylamino)ethoxy)-2'-hydroxy-, hydrochloride
- IUPAC
- 2-(4-acetyl-3-hydroxyphenoxy)ethyl-dimethylazanium chloride
Names & synonyms
ACETOPHENONE, 4'-(2-(DIMETHYLAMINO)ETHOXY)-2'-HYDROXY-, HYDROCHLORIDE20809-03-44-Acetyl-3-hydroxy-beta-(N,N-dimethyl)phenoxyethylamine, hydrochlorideAcetophenone, 4'-(2-(dimethylamino)ethoxy)-6'-hydroxy-, hydrochlorideRefChem:316943
Database identifiers
- CAS
20809-03-4- PubChem CID
- 30282
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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