Isovalerophenone, 2'-(2-(diethylamino)ethoxy)-, hydrochloride
Basic information
- CAS
20809-13-6- Standard SMILES
CC[NH+](CC)CCOc1ccccc1C(=O)CC(C)C.[Cl-]- InChIKey
WNUYKDZTNUSHTC-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO2
- Average molar mass
- 313.9 g/mol
- Monoisotopic mass
- 313.1808568
Names & identifiers
- Preferred name
- Isovalerophenone, 2'-(2-(diethylamino)ethoxy)-, hydrochloride
- IUPAC
- diethyl-[2-[2-(3-methylbutanoyl)phenoxy]ethyl]azanium chloride
Names & synonyms
ISOVALEROPHENONE, 2'-(2-(DIETHYLAMINO)ETHOXY)-, HYDROCHLORIDE2-Isovaleryl-beta-(N,N-diethyl)phenoxyethylamine, hydrochlorideIsovalerophenone, 6'-(2-(diethylamino)ethoxy)-, hydrochloride20809-13-6RefChem:350190
Database identifiers
- CAS
20809-13-6- PubChem CID
- 30292
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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