ChemicalBook--->CAS DataBase List--->13936-71-5

13936-71-5

13936-71-5 Structure

13936-71-5 Structure
IdentificationBack Directory
[Name]

N-Ethyl-3-buteno-o-toluidide
[CAS]

13936-71-5
[Synonyms]

Crotamiton impurity I
Crotamiton Impurity 13
Cromilton EP Impurity A
Crotamiton EP Impurity A
N-Ethyl-3-buteno-o-toluidide
N-Ethyl-N-(2-methylphenyl)but-3-enamide
3-Butenamide, N-ethyl-N-(2-methylphenyl)-
N-Ethyl-N-(o-tolyl)but-3-enamide (Crotamiton Impurity)
[Molecular Formula]

C13H17NO
[MOL File]

13936-71-5.mol
[Molecular Weight]

203.28
Chemical PropertiesBack Directory
[Boiling point ]

308.3±21.0 °C(Predicted)
[density ]

1.006±0.06 g/cm3(Predicted)
[storage temp. ]

Amber Vial, Refrigerator
[solubility ]

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

1.19±0.50(Predicted)
[color ]

Colourless
[Stability:]

Light Sensitive
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-7,9-10H,1,5,8H2,2-3H3
[InChIKey]

NXXVQNLYGNUDLL-UHFFFAOYSA-N
[SMILES]

C(N(CC)C1=CC=CC=C1C)(=O)CC=C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

N-Ethyl-3-buteno-o-toluidide is used to study proton nonequivalence in N-aryl amides.
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