1-(4-Bromophenyl)-3-(4-cyclohexylanilino)-1-propanone
Basic information
- CAS
882748-67-6- Standard SMILES
O=C(CCNc1ccc(C2CCCCC2)cc1)c1ccc(Br)cc1- InChIKey
VXOUNAPLHUEYBN-UHFFFAOYSA-N- Molecular formula
- C21H24BrNO
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 385.10413
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-3-(4-cyclohexylanilino)-1-propanone
- IUPAC
- 1-(4-bromophenyl)-3-(4-cyclohexylanilino)propan-1-one
- English name
- 1-(4-Bromophenyl)-3-(4-cyclohexylanilino)-1-propanone
- Molecular formula
- C21H24BrNO
- Molecular weight
- 386.33
Names & synonyms
882748-67-61-(4-bromophenyl)-3-(4-cyclohexylanilino)-1-propanone1-(4-bromophenyl)-3-[(4-cyclohexylphenyl)amino]propan-1-one1-(4-bromophenyl)-3-(4-cyclohexylanilino)propan-1-one1-(4-Bromophenyl)-3-((4-cyclohexylphenyl)amino)propan-1-oneDTXSID901187707MFCD03933238AKOS005108397JS-23441-(4-Bromophenyl)-3-[(4-cyclohexylphenyl)amino]-1-propanoneSALOR-INT L200778-1EA1-Propanone, 1-(4-bromophenyl)-3-[(4-cyclohexylphenyl)amino]-
Database identifiers
- CAS
882748-67-6- PubChem CID
- 4342103
- DTXSID
DTXSID901187707- EC Number
- 125-855-8
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 542.5 · 542.5±45.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- pka
- 4 · 4+-.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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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. 4 (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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