N-(4-Phenoxyphenyl)acetamide
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Basic information
- CAS
6312-87-4- Standard SMILES
CC(=O)Nc1ccc(Oc2ccccc2)cc1- InChIKey
JIHOMPVYRSEHKW-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- N-(4-Phenoxyphenyl)acetamide
- IUPAC
- N-(4-phenoxyphenyl)acetamide
- English name
- N-(4-Phenoxy-phenyl)-acetamide
- Molecular formula
- C14H13NO2
- Molecular weight
- 227.26
Names & synonyms
N-(4-Phenoxyphenyl)acetamide6312-87-4CCRIS 7394CSE7U756DENSC-405764'-PHENOXYACETANILIDEDTXSID20212461Acetamide, N-(4-phenoxyphenyl)-NSC 405764-(ACETYLAMINO)-1,1'-DIPHENYL ETHERRefChem:162203DTXCID20134952
Show more names
N-(4-Phenoxyphenyl)5-methylsulfonylpyridine-5-carbonitrile
663-359-8N-(4-Phenoxy-phenyl)-acetamideMFCD00442086acetylaminodiphenyl etherNSC40576CBMicro_013346UNII-CSE7U756DEOprea1_118739
Database identifiers
- CAS
6312-87-4- PubChem CID
- 80579
- DTXSID
DTXSID20212461- ChEMBL
CHEMBL1730562- UNII
- CSE7U756DE
- EC Number
- 663-359-8
- Nikkaji
- J673.547I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
Solubility33.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 106 · 106-107 °C
- Boiling point
- 410.8 · 410.8±28.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.36 · 14.36±0.70(Predicted)
- FDA UNII
- 7 U756DE · CSE7U756DE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- 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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, 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
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN-(4-Phenoxyphenyl)acetamide is a known human metabolite of 4-phenoxyaniline.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
12 records
Compound notes
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