Butyrophenone, 5'-chloro-2'-(2-(diisopropylamino)ethoxy)-
Basic information
- CAS
20809-23-8- Standard SMILES
CCCC(=O)c1cc(Cl)ccc1OCCN(C(C)C)C(C)C- InChIKey
VINIHWKNHVRYQN-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- Butyrophenone, 5'-chloro-2'-(2-(diisopropylamino)ethoxy)-
- IUPAC
- 1-[5-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]butan-1-one
- English name
- 5'-Chloro-2'-[2-(diisopropylamino)ethoxy]butyrophenone
- Molecular formula
- C18H28ClNO2
- Molecular weight
- 325.87
Names & synonyms
BRN 258821720809-23-8BUTYROPHENONE, 5'-CHLORO-2'-(2-(DIISOPROPYLAMINO)ETHOXY)-DTXSID401749162-Butyryl-4-chloro-beta-(N,N-diisopropyl)phenoxyethylamineButyrophenone, 3'-chloro-6'-(2-(diisopropylamino)ethoxy)-RefChem:331477DTXCID00974075'-Chloro-2'-[2-(diisopropylamino)ethoxy]butyrophenone1-(5-Chloro-2-{2-[di(propan-2-yl)amino]ethoxy}phenyl)butan-1-one1-Butanone, 1-[2-[2-[bis(1-methylethyl)amino]ethoxy]-5-chlorophenyl]-
Database identifiers
- CAS
20809-23-8- PubChem CID
- 30304
- DTXSID
DTXSID40174916- Nikkaji
- J67.439G
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 419.5 · 419.5±40.0 °C(Predicted)
- Density
- 1.039 · 1.039±0.06 g/cm3(Predicted)
- pka
- 9.65 · 9.65±0.28(Predicted)
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Compound notes
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