Basic information
- CAS
3800-15-5- Standard SMILES
O=C(CCCN1CCOCC1)c1ccc(F)cc1- InChIKey
OQJFBTBPFKSJAI-UHFFFAOYSA-N- Molecular formula
- C14H18FNO2
- Average molar mass
- 251.3 g/mol
- Monoisotopic mass
- 251.13215698
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-4-(morpholin-4-yl)butan-1-one
- IUPAC
- 1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-one
- English name
- 1-(4-Fluorophenyl)-4-morpholino-1-butanone
- Molecular formula
- C14H18FNO2
- Molecular weight
- 251.3
Names & synonyms
3800-15-51-(4-fluorophenyl)-4-(morpholin-4-yl)butan-1-oneDTXSID60958977RefChem:1054388DTXCID4013868694'-Fluoro-4-(morpholino)butyrophenone1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-one1-(4-Fluorophenyl)-4-morpholinobutan-1-oneBRN 0987008BUTYROPHENONE, 4'-FLUORO-4-(MORPHOLINO)-1-(4-fluorophenyl)-4-morpholino-1-butanoneBionet2_001140
Show more names
1-Butanone, 1-(4-fluorophenyl)-4-(4-morpholinyl)-
SCHEMBL16986158OQJFBTBPFKSJAI-UHFFFAOYSA-NHMS1367D18MFCD01737578AKOS005106658CS-03578381-(4-fluorophenyl)-4-morpholino-butan-1-one9W-0337
Database identifiers
- CAS
3800-15-5- PubChem CID
- 19637
- DTXSID
DTXSID60958977- Nikkaji
- J67.470B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 60 °C · 60 °C(Solv: hexane (110-54-3))
- Boiling point
- 155 · 155-157 °C(Press: 1.5 Torr)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 7.13 · 7.13±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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