Basic information
- CAS
545352-23-6- Standard SMILES
COc1ccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1- InChIKey
UEICPECVLYWOGM-UHFFFAOYSA-N- Molecular formula
- C17H16F3NO2
- Average molar mass
- 323.31 g/mol
- Monoisotopic mass
- 323.11331324
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-N-(3-(trifluoromethyl)phenyl)propanamide
- IUPAC
- 3-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
- English name
- 3-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
- Molecular formula
- C17H16F3NO2
- Molecular weight
- 323.31
Names & synonyms
3-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]propanamide545352-23-63-(4-Methoxyphenyl)-N-(3-(trifluoromethyl)phenyl)propanamideRefChem:493245665-356-7STK440595AKOS003019807ST033008AO-548/414454124-Methoxy-N-[3-(trifluoromethyl)phenyl]benzenepropanamideBenzenepropanamide, 4-methoxy-N-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
545352-23-6- PubChem CID
- 674576
- EC Number
- 665-356-7
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 461.1 · 461.1±45.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- 14.28 · 14.28±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H317
- Precautionary statements
- 273 · P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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 CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H317
- Precautionary statements
- P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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