Basic information
- CAS
477320-46-0- Standard SMILES
COc1ccc(C(=O)CCNc2ccc(F)cc2)cc1- InChIKey
BNDXUDMQUIZROK-UHFFFAOYSA-N- Molecular formula
- C16H16FNO2
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.11650692
Names & identifiers
- Preferred name
- 3-(4-Fluoroanilino)-1-(4-methoxyphenyl)-1-propanone
- IUPAC
- 3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one
- English name
- 3-(4-Fluoroanilino)-1-(4-methoxyphenyl)-1-propanone
- Molecular formula
- C16H16FNO2
- Molecular weight
- 273.3
Names & synonyms
477320-46-03-(4-fluoroanilino)-1-(4-methoxyphenyl)-1-propanoneRefChem:493021646-571-53-((4-Fluorophenyl)amino)-1-(4-methoxyphenyl)propan-1-one3-(4-fluoroanilino)-1-(4-methoxyphenyl)propan-1-one3-[(4-fluorophenyl)amino]-1-(4-methoxyphenyl)propan-1-oneMLS000769480CHEMBL1459312HMS2801F23STK795238AKOS005108296
Show more names
SALOR-INT L233145-1EA
JS-2446SB81990SMR000434193CS-0359398ST512272593-(4-Fluoro-phenylamino)-1-(4-methoxy-phenyl)-propan-1-one
Database identifiers
- CAS
477320-46-0- PubChem CID
- 930491
- ChEMBL
CHEMBL1459312- EC Number
- 646-571-5
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
Solubility<0.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H400
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
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]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H400
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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