Basic information
- CAS
61941-57-9- Standard SMILES
CCOC(=O)Cc1cccc(C(=O)c2ccccc2)c1N- InChIKey
XQGLNUVQVKZRRR-UHFFFAOYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.1208434
Names & identifiers
- Preferred name
- Ethyl (2-amino-3-benzoylphenyl)acetate
- IUPAC
- ethyl 2-(2-amino-3-benzoylphenyl)acetate
- English name
- Amfenac Ethyl Ester
- Molecular formula
- C17H17NO3
- Molecular weight
- 283.32
Names & synonyms
61941-57-9Amfenac Ethyl EsterEthyl (2-amino-3-benzoylphenyl)acetateethyl 2-(2-amino-3-benzoylphenyl)acetateCHEMBL73295Benzeneacetic acid, 2-amino-3-benzoyl-, ethyl esterSCHEMBL2746976DTXSID90512566XQGLNUVQVKZRRR-UHFFFAOYSA-NBDBM50228720Ethyl 2-amino-3-benzoylphenylacetate2-amino-3-benzoyl benzeneacetic acid, ethyl ester
Show more names
(2-Amino-3-benzoylphenyl)acetic Acid, Ethyl EsterAmfenac Ethyl Ester; 2-Amino-3-benzoylbenzeneacetic acid ethyl ester; Ethyl (2-amino-3-benzoylphenyl)acetate; Ethyl 2-amino-3-benzoylbenzeneacetate
Database identifiers
- CAS
61941-57-9- PubChem CID
- 12901249
- DTXSID
DTXSID90512566- ChEMBL
CHEMBL73295- Nikkaji
- J336.886F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 77 · 77-78 °C(Solv: ethanol (64-17-5))
- Boiling point
- 470.1 · 470.1±40.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 0.17 · 0.17±0.13(Predicted)
Chemistry & industry
Applications
UsesAmfenac Ethyl Ester is a derivative of Amfenac (A576500), an antibacterial agent for the treatment of otitis externa.
Suppliers2 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
6 records
Compound notes
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