Basic information
- CAS
20809-22-7- Standard SMILES
CC(C)C(=O)c1ccccc1OCC[NH+](C(C)C)C(C)C.[Cl-]- InChIKey
XVLYXOOFLZPBKQ-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO2
- Average molar mass
- 327.9 g/mol
- Monoisotopic mass
- 327.1965069
Names & identifiers
- Preferred name
- Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride
- IUPAC
- 2-[2-(2-methylpropanoyl)phenoxy]ethyl-di(propan-2-yl)azanium chloride
Names & synonyms
Isobutyrophenone, 6'-(2-(diisopropylamino)ethoxy)-, hydrochloride2-Isobutyryl-beta-(N,N-diisopropyl)phenoxyethylamine, hydrochlorideISOBUTYROPHENONE, 2'-(2-(DIISOPROPYLAMINO)ETHOXY)-, HYDROCHLORIDE20809-22-7RefChem:349578
Database identifiers
- CAS
20809-22-7- PubChem CID
- 30302
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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