Basic information
- CAS
20809-28-3- Standard SMILES
CC(=O)c1cccc(OCC[NH+](C(C)C)C(C)C)c1.[Cl-]- InChIKey
PHMZJQWILGVPRI-UHFFFAOYSA-N- Molecular formula
- C16H26ClNO2
- Average molar mass
- 299.83 g/mol
- Monoisotopic mass
- 299.1652068
Names & identifiers
- Preferred name
- Acetophenone, 3'-(2-(diisopropylamino)ethoxy)-, hydrochloride
- IUPAC
- 2-(3-acetylphenoxy)ethyl-di(propan-2-yl)azanium chloride
Names & synonyms
3'-(2-(Diisopropylamino)ethoxy)acetophenone hydrochloride20809-28-33-Acetyl-beta-(N,N-diisopropyl)phenoxyethylamine, hydrochlorideAcetophenone, 5'-(2-(diisopropylamino)ethoxy)-, hydrochlorideACETOPHENONE, 3'-(2-(DIISOPROPYLAMINO)ETHOXY)-, HYDROCHLORIDERefChem:316934
Database identifiers
- CAS
20809-28-3- PubChem CID
- 30307
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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