Ethyl n-benzoylserinate
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Basic information
- CAS
6332-41-8- Standard SMILES
CCOC(=O)C(CO)NC(=O)c1ccccc1- InChIKey
PLBWFFODNNJIHY-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- Ethyl n-benzoylserinate
- IUPAC
- ethyl 2-benzamido-3-hydroxypropanoate
- English name
- ethyl 2-benzamido-3-hydroxy-propanoate
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
ethyl n-benzoylserinate6332-41-8NSC25744SCHEMBL26199837DTXSID00282405NSC-25744L-Serine, N-benzoyl-, ethyl esterethyl 2-benzamido-3-hydroxy-propanoate
Database identifiers
- CAS
6332-41-8- PubChem CID
- 230650
- DTXSID
DTXSID00282405
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 478.541 · 478.541±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.747 · 12.747±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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