2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanone
Basic information
- CAS
99931-95-0- Standard SMILES
O=C(Cc1ccc(Cl)cc1)N1CCOCC1- InChIKey
BLJZHAMNNBKKPZ-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO2
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.0713064
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanone
- IUPAC
- 2-(4-chlorophenyl)-1-morpholin-4-ylethanone
- English name
- 2-(4-chlorophenyl)-1-morpholinoethanone
- Molecular formula
- C12H14ClNO2
- Molecular weight
- 239.7
Names & synonyms
99931-95-02-(4-Chlorophenyl)-1-(4-morpholinyl)ethanoneRefChem:2521642-(4-chlorophenyl)-1-morpholin-4-ylethanoneZINC862287MFCD016494374-[(4-chlorophenyl)acetyl]morpholine2-(4-Chlorophenyl)-1-(morpholin-4-yl)ethan-1-one2-(4-chlorophenyl)-1-morpholinoethanone2-(4-Chloro-phenyl)-1-morpholin-4-yl-ethanoneCambridge id 5812032Oprea1_459069
Show more names
MLS001202463CHEMBL1314153SCHEMBL24352145DTXSID501257013HMS1694P04HMS2840P18STK175542ZINC00862287
Database identifiers
- CAS
99931-95-0- PubChem CID
- 1124089
- DTXSID
DTXSID501257013- ChEMBL
CHEMBL1314153
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Solubility>36 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 107 · 107.0-108.0 °C
- Boiling point
- 411.4 · 411.400±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.918 · -0.918±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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