ChemicalBook--->CAS DataBase List--->216576-74-8

216576-74-8

216576-74-8 Structure

216576-74-8 Structure
IdentificationBack Directory
[Name]

4-Hexenoic acid, 3-(aminomethyl)-5-methyl-
[CAS]

216576-74-8
[Synonyms]

Pregabalin-1
4,5-Dehydropregabalin
Pregabalin Impurity M
rac 4,5-Dehydro Pregabalin
Pregabalin Impurity 3 Monomer
4,5-Dehydro Pregabalin Formate
4, 5-dehydrogenated pregabalin
Pregabalin 4,5-Dehydro Racemate
rac 4,5-Dehydro Pregabalin (4-ENE imp)
3-(AMinoMethyl)-5-Methyl-4-hexenoic Acid
4,5-Dehydro Pregabalin Triethylamine salt
Pregabalin impurity H: 4,5-dehydropregabalin
4-Hexenoic acid, 3-(aminomethyl)-5-methyl-
Pregabalin impurity 9/4,5-Dehydro Pregabalin/3-(Aminomethyl)-5-methyl-4-hexenoic Acid
[Molecular Formula]

C8H15NO2
[MDL Number]

MFCD18820135
[MOL File]

216576-74-8.mol
[Molecular Weight]

157.21
Chemical PropertiesBack Directory
[Melting point ]

>151°C (dec.)
[Boiling point ]

284.1±33.0 °C(Predicted)
[density ]

1.029±0.06 g/cm3(Predicted)
[storage temp. ]

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

Methanol (Slightly, Heated, Sonicated), Water (Slightly)
[form ]

Solid
[pka]

4.35±0.10(Predicted)
[color ]

White to Light Beige
[Stability:]

Hygroscopic
[Major Application]

pharmaceutical small molecule
[InChI]

InChI=1S/C8H15NO2/c1-6(2)3-7(5-9)4-8(10)11/h3,7H,4-5,9H2,1-2H3,(H,10,11)
[InChIKey]

RILHQHHDJPATCS-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CC(CN)/C=C(\C)/C
Safety DataBack Directory
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Pale Beige Solid
[Uses]

4,5-Dehydropregabalin is an impurity of the anticonvulsant, Pregabalin (P704800).
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