Butyrophenone, 4'-(2-(diisopropylamino)ethoxy)-, hydrochloride
Basic information
- CAS
20809-29-4- Standard SMILES
CCCC(=O)c1ccc(OCC[NH+](C(C)C)C(C)C)cc1.[Cl-]- InChIKey
BJWPDHNGNFMSII-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO2
- Average molar mass
- 327.9 g/mol
- Monoisotopic mass
- 327.1965069
Names & identifiers
- Preferred name
- Butyrophenone, 4'-(2-(diisopropylamino)ethoxy)-, hydrochloride
- IUPAC
- 2-(4-butanoylphenoxy)ethyl-di(propan-2-yl)azanium chloride
Names & synonyms
4'-(2-(Diisopropylamino)ethoxy)butyrophenone hydrochloride20809-29-44-Butyryl-beta-(N,N-diisopropyl)phenoxyethylamine, hydrochlorideBUTYROPHENONE, 4'-(2-(DIISOPROPYLAMINO)ETHOXY)-, HYDROCHLORIDERefChem:331386
Database identifiers
- CAS
20809-29-4- PubChem CID
- 30309
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 286
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Compound notes
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