Butyrophenone, 4'-(2-(dimethylamino)ethoxy)-2'-hydroxy-, hydrochloride
Basic information
- CAS
20809-05-6- Standard SMILES
CCCC(=O)c1ccc(OCC[NH+](C)C)cc1O.[Cl-]- InChIKey
XLCVIHWJZCVJBB-UHFFFAOYSA-N- Molecular formula
- C14H22ClNO3
- Average molar mass
- 287.78 g/mol
- Monoisotopic mass
- 287.1288213
Names & identifiers
- Preferred name
- Butyrophenone, 4'-(2-(dimethylamino)ethoxy)-2'-hydroxy-, hydrochloride
- IUPAC
- 2-(4-butanoyl-3-hydroxyphenoxy)ethyl-dimethylazanium chloride
Names & synonyms
Butyrophenone, 4'-(2-(dimethylamino)ethoxy)-6'-hydroxy-, hydrochloride4-Butyryl-3-hydroxy-beta-(N,N-dimethyl)phenoxyethylamine, hydrochlorideBUTYROPHENONE, 4'-(2-(DIMETHYLAMINO)ETHOXY)-2'-HYDROXY-, HYDROCHLORIDE20809-05-6RefChem:331387
Database identifiers
- CAS
20809-05-6- PubChem CID
- 30284
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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