Basic information
- CAS
22078-96-2- Standard SMILES
COC(=O)c1ccccc1NCC(=O)c1ccccc1- InChIKey
AYEXMRATZYYIQV-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- Methyl 2-[(2-oxo-2-phenylethyl)amino]benzoate
- IUPAC
- methyl 2-(phenacylamino)benzoate
- English name
- methyl 2-[(2-oxo-2-phenylethyl)amino]benzoate
- Molecular formula
- C16H15NO3
- Molecular weight
- 269.3
Names & synonyms
22078-96-2METHYL 2-[(2-OXO-2-PHENYLETHYL)AMINO]BENZOATEMethyl 2-((2-oxo-2-phenylethyl)amino)benzoateEINECS 244-768-7DTXSID60176573Benzoic acid, 2-((2-oxo-2-phenylethyl)amino)-, methyl esterRefChem:157250DTXCID1099064244-768-7AYEXMRATZYYIQV-UHFFFAOYSA-NNS000270502-[(2-Oxo-2-phenylethyl)amino]benzoic acid methyl ester
Show more names
Benzoic acid, 2-[(2-oxo-2-phenylethyl)amino]-, methyl ester
Database identifiers
- CAS
22078-96-2- PubChem CID
- 89591
- DTXSID
DTXSID60176573- EC Number
- 244-768-7
- Nikkaji
- J285.431G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 442.8 · 442.8±25.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 0.88 · 0.88±0.50(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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