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Home > Encyclopedia > 4-Hexenoicacid,3-(aminomethyl)-5-methyl-

4-Hexenoicacid,3-(aminomethyl)-5-methyl-

4-Hexenoicacid,3-(aminomethyl)-5-methyl- structure

4-Hexenoicacid,3-(aminomethyl)-5-methyl- 

structure
  • CAS No:

    216576-74-8

  • Formula:

    C8H15NO2

  • Chemical Name:

    4-Hexenoicacid,3-(aminomethyl)-5-methyl-

  • Synonyms:

    4-Hexenoic acid, 3-(aminomethyl)-5-methyl-;3-(AMinoMethyl)-5-Methyl-4-hexenoic Acid;4,5-Dehydropregabalin;rac 4,5-Dehydro Pregabalin;Pregabalin Impurity M;4,5-Dehydro Pregabalin Formate;Pregabalin Impurity 3 Monomer;Pregabalin impurity 9/4,5-Dehydro Pregabalin/3-(Aminomethyl)-5-methyl-4-hexenoic Acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

4-Hexenoicacid,3-(aminomethyl)-5-methyl- Basic Attributes

157.21

157.110278721

DTXSID00649498

Characteristics

63.32000

1.70250

1.029±0.06 g/cm3

284.1±33.0 °C(Predicted)

4.35±0.10

4-Hexenoicacid,3-(aminomethyl)-5-methyl- Use and Manufacturing

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

Computed Properties

Molecular Weight:157.21
XLogP3:-1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:157.110278721
Monoisotopic Mass:157.110278721
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:160
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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