Atrolactamide
Basic information
- CAS
2019-68-3- Standard SMILES
CC(O)(C(N)=O)c1ccccc1- InChIKey
FWTXWYXPXGKVJG-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Overview
Atrolactamide is a member of acetamides.
Names & identifiers
- Preferred name
- Atrolactamide
- IUPAC
- 2-hydroxy-2-phenylpropanamide
- English name
- Atrolactamide
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
AtrolactamideThemisone2019-68-3alpha-Phenyllactamidalpha-MethylmendelamidDL-Atrolactamide2-Hydroxy-2-phenylpropionamid2-Hydroxy-2-phenylpropionamide2-Phenyl-2-hydroxypropionamideUNII-SJ9132S4AW2-Hydroxy-2-phenylpropylamideSJ9132S4AW
Show more names
(-)-α-Methyl-L-mandelamide(+)-α-Methyl-D-mandelamide2-hydroxy-2-phenylpropanamide2-hydroxy-2-phenyl-propanamide[S,(-)]-α-Hydroxyhydratropamide2-hydroxy-2-phenyl-propionamide[R,(+)]-α-HydroxyhydratropamideBenzeneacetamide, α-hydroxy-α-methyl-[R,(+)]-2-Hydroxy-2-phenylpropionamide
alpha-Hydroxy-alpha-methylbenzeneacetamideMANDELAMIDE, alpha-METHYL-NSC 51066NSC-51066ATROLACTAMIDE [MI].alpha.-Hydroxy-.alpha.-phenylpropionamideBenzeneacetamide, alpha-hydroxy-alpha-methyl-ATROLACTAMIDE DL-FORM [MI]
Database identifiers
- CAS
2019-68-3- PubChem CID
- 16235
- DTXSID
DTXSID101043208- ChEMBL
CHEMBL309487- ChEBI
CHEBI:134797- UNII
- SJ9132S4AW
- EC Number
- 105-972-0
- Nikkaji
- J512.164G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 62.5 · 62.5-63.5 °C(Solv: benzene (71-43-2))
- Boiling point
- 349.3 · 349.3±35.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 12.53 · 12.53±0.29(Predicted)
- FDA UNII
- 9132 S4AW · SJ9132S4AW
Chemistry & industry
Applications
UsesAtrolactamide (M-144) is a potent anticonvulsant. Atrolactamide can be used for the research of epilepsy[1].
Additional notes
DefinitionChEBI: Atrolactamide is a member of acetamides.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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