Cas no 1155843-61-0 ((S)-N-Methyl Pregabalin)

(S)-N-Methyl Pregabalin structure
(S)-N-Methyl Pregabalin structure
Product Name:(S)-N-Methyl Pregabalin
CAS No:1155843-61-0
MF:C9H19NO2
MW:173.25266289711
CID:1061839
PubChem ID:29984342
Update Time:2025-04-20

(S)-N-Methyl Pregabalin Chemical and Physical Properties

Names and Identifiers

    • (S)-N-Methyl Pregabalin
    • (S)-N-Methyl Pregaba
    • (3S)-5-methyl-3-(methylaminomethyl)hexanoic acid
    • SCHEMBL8143652
    • 1155843-61-0
    • N-Methylpregabalin
    • (3S)-3-(N-Methylaminomethyl)-5-methylhexanoic Acid
    • Q27268764
    • DTXSID10652655
    • 7RM9G6AN7J
    • (3S)-5-Methyl-3-[(methylamino)methyl]hexanoic acid
    • Inchi: 1S/C9H19NO2/c1-7(2)4-8(6-10-3)5-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1
    • InChI Key: MADUVMLGQASXOK-QMMMGPOBSA-N
    • SMILES: OC(C[C@@H](CNC)CC(C)C)=O

Computed Properties

  • Exact Mass: 173.14200
  • Monoisotopic Mass: 173.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 135
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1
  • Topological Polar Surface Area: 49.3?2

Experimental Properties

  • Melting Point: 93-96°C
  • PSA: 49.33000
  • LogP: 1.73370

(S)-N-Methyl Pregabalin Security Information

(S)-N-Methyl Pregabalin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M326015-2mg
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$136.00 2023-05-17
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$ 181.00 2023-09-07
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$ 345.00 2023-09-07
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$ 845.00 2023-09-07
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