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313651-25-1

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313651-25-1 Structure

313651-25-1 Structure
IdentificationBack Directory
[Name]

Hexanoic acid, 3-(aminomethyl)-4,5-dimethyl-, (3R,4R)-
[CAS]

313651-25-1
[Synonyms]

Methylpregabalin
4-Methylpregabalin
Pregabalin Impurity 75
Pregabalin Impurity 84
4-Methyl Pregabalin powder
(3R,4R)-3-(Aminomethyl)-4,5-dimethylhexanoic acid
Hexanoic acid, 3-(aminomethyl)-4,5-dimethyl-, (3R,4R)-
[EINECS(EC#)]

206-253-5
[Molecular Formula]

C9H19NO2
[MOL File]

313651-25-1.mol
[Molecular Weight]

173.25
Chemical PropertiesBack Directory
[Melting point ]

163-165 °C(Solv: methanol (67-56-1))
[Boiling point ]

283.7±23.0 °C(Predicted)
[density ]

0.981±0.06 g/cm3(Predicted)
[pka]

4.22±0.10(Predicted)
[InChI]

InChI=1S/C9H19NO2/c1-6(2)7(3)8(5-10)4-9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)/t7-,8+/m1/s1
[InChIKey]

IASDTUBNBCYCJG-SFYZADRCSA-N
[SMILES]

C(O)(=O)C[C@@H](CN)[C@H](C)C(C)C
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