Cas no 102673-95-0 (3-Methylglutarylcarnitine)

3-Methylglutarylcarnitine structure
3-Methylglutarylcarnitine structure
Product Name:3-Methylglutarylcarnitine
CAS No:102673-95-0
MF:C13H23NO6
MW:289.32482457161
CID:184111
PubChem ID:91825568
Update Time:2025-09-22

3-Methylglutarylcarnitine Chemical and Physical Properties

Names and Identifiers

    • 1-Propanaminium,3-carboxy-2-(4-carboxy-3-methyl-1-oxobutoxy)-N,N,N-trimethyl-, inner salt
    • 3-METHYLGLUTARYLCARNITINE
    • 5-[1-carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-3-methyl-5-oxopentanoate
    • 1-Propanaminium,3-carboxy-2-(4-carboxy-3-methyl-1-oxobutoxy)-N,N,N-trimethyl-,hydroxide,inner salt
    • 3-Carboxy-2-(4-carboxy-3-methyl-1-oxobutoxy)-N,N,N-trimethyl-1-propanaminium hydroxide,inner salt
    • 5-[4-hydroxy-4-oxo-1-(trimethylazaniumyl)butan-2-yl]oxy-3-methyl-5-oxopentanoate
    • 5-{[1-carboxy-3-(trimethylammonio)propan-2-yl]oxy}-3-methyl-5-oxopentanoate
    • 5-(4-hydroxy-4-oxo-1-trimethylazaniumylbutan-2-yl)oxy-3-methyl-5-oxopentanoate
    • 102673-95-0
    • SCHEMBL21594797
    • CHEBI:70857
    • O-3-methylglutarylcarnitine
    • DTXSID50907979
    • 3-[(4-carboxy-3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
    • 3-Methylglutarylcarnitine
    • Inchi： 1S/C13H23NO6/c1-9(5-11(15)16)6-13(19)20-10(7-12(17)18)8-14(2,3)4/h9-10H,5-8H2,1-4H3,(H-,15,16,17,18)
    • InChI Key： HFCPFJNSBPQJDP-UHFFFAOYSA-N
    • SMILES： O(C(CC(C)CC(=O)O)=O)C(CC(=O)[O-])C[N+](C)(C)C

Computed Properties

  • Exact Mass: 325.12900
  • Monoisotopic Mass: 289.153
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 9
  • Complexity: 355
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.454
  • PSA: 100.90000
  • LogP: -2.41600

3-Methylglutarylcarnitine Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • Storage Condition：?20°C

3-Methylglutarylcarnitine Pricemore >>

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 $856.00 2023-05-18
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