ChemicalBook--->CAS DataBase List--->86921-49-5

86921-49-5

86921-49-5 Structure

86921-49-5 Structure
IdentificationBack Directory
[Name]

2-(Acetylamino)-N-(phenylmethyl)-2-propenamide
[CAS]

86921-49-5
[Synonyms]

Lacosamide Impurity A
2-acetamido-N-benzylacrylamide
N-Benzyl-2-acetamidoprop-2-enamide
2-acetamido-N-benzylprop-2-enamide
N-acetyldehydroalanine-N-benzylamide
2-(acetylamino)-N-benzylprop-2-enamide
2-(Acetylamino)-N-(phenylmethyl)-2-propenamide
Lacosamide Impurity 11(Lacosamide EP Impurity K)
Lacosamide impurity 10/Lacosamide EP Impurity K/2-acetamido-N-benzylacrylamide
[Molecular Formula]

C12H14N2O2
[MDL Number]

MFCD24550141
[MOL File]

86921-49-5.mol
[Molecular Weight]

218.25
Chemical PropertiesBack Directory
[Melting point ]

122-124°C
[Boiling point ]

533.9±50.0 °C(Predicted)
[density ]

1.118±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

13.38±0.46(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical small molecule
[InChI]

InChI=1S/C12H14N2O2/c1-9(14-10(2)15)12(16)13-8-11-6-4-3-5-7-11/h3-7H,1,8H2,2H3,(H,13,16)(H,14,15)
[InChIKey]

OVRHVEWKMXSKAL-UHFFFAOYSA-N
[SMILES]

C(NCC1=CC=CC=C1)(=O)C(NC(C)=O)=C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

2-(Acetylamino)-N-(phenylmethyl)-2-propenamide is an impurity of Lacosamide (L098500) which is a medication used for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain and is a potent anticonvulsant (1,2,3). 2-(Acetylamino)-N-(phenylmethyl)-2-propenamide is also used as a reagent in the synthesis of ?novel N-acyl dehydroalanine derivatives which possess antioxidant properties showing a strong inhibitory effect on lipid peroxidation (4).
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