3-[4-(Sec-butyl)anilino]-1-(4-fluorophenyl)-1-propanone
Basic information
- CAS
882748-27-8- Standard SMILES
CCC(C)c1ccc(NCCC(=O)c2ccc(F)cc2)cc1- InChIKey
TZSKLNUXUMFQGA-UHFFFAOYSA-N- Molecular formula
- C19H22FNO
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.16854249
Names & identifiers
- Preferred name
- 3-[4-(Sec-butyl)anilino]-1-(4-fluorophenyl)-1-propanone
- IUPAC
- 3-(4-butan-2-ylanilino)-1-(4-fluorophenyl)propan-1-one
- English name
- 3-[4-(sec-Butyl)anilino]-1-(4-fluorophenyl)-1-propanone
- Molecular formula
- C19H22FNO
- Molecular weight
- 299.38
Names & synonyms
882748-27-83-[4-(sec-butyl)anilino]-1-(4-fluorophenyl)-1-propanone3-{[4-(butan-2-yl)phenyl]amino}-1-(4-fluorophenyl)propan-1-one3-(4-butan-2-ylanilino)-1-(4-fluorophenyl)propan-1-oneMFCD03932026AKOS005108721JS-22891-(4-fluorophenyl)-3-(4-sec-butylanilino)propan-1-one3-(4-sec-butylanilino)-1-(4-fluorophenyl)-1-propanone3-((4-(Sec-butyl)phenyl)amino)-1-(4-fluorophenyl)propan-1-oneSALOR-INT L171050-1EA1-Propanone, 1-(4-fluorophenyl)-3-[[4-(1-methylpropyl)phenyl]amino]-
Database identifiers
- CAS
882748-27-8- PubChem CID
- 3555461
- EC Number
- 123-829-0
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 450.6 · 450.6±35.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 4.79 · 4.79±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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