Cas no 85806-17-3 (γ-Butyrobetaine-d9 Hydrochloride)

γ-Butyrobetaine-d9 Hydrochloride structure
85806-17-3 structure
Product Name:γ-Butyrobetaine-d9 Hydrochloride
CAS No:85806-17-3
MF:C7H16ClNO2
MW:190.715896606445
CID:1065830
PubChem ID:71314460
Update Time:2024-10-26

γ-Butyrobetaine-d9 Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • N-(Carboxypropyl)-N,N,N-trimethyl-d9-ammonium Chloride
    • γ-Butyrobetaine-d9 Hydrochloride
    • N-TriMethyl-γ-aMinobutyric Acid-d9 Chloride
    • gamma-Butyrobetaine-d9 Hydrochloride
    • 4-[Tris(trideuteriomethyl)azaniumyl]butanoate;hydrochloride
    • 1-Propanaminium, 3-carboxy-N,N,N-tri(methyl-d3)-, chloride (9CI)
    • 4-[tri(?H?)methylazaniumyl]butanoate hydrochloride
    • N-TriMethyl-gamma-aMinobutyric Acid-d9 Chloride
    • 85806-17-3
    • Inchi: 1S/C7H15NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-6H2,1-3H3;1H/i1D3,2D3,3D3;
    • InChI Key: GNRKTORAJTTYIW-KYRNGWDOSA-N
    • SMILES: Cl.[O-]C(CCC[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=O

Computed Properties

  • Exact Mass: 190.1434472g/mol
  • Monoisotopic Mass: 190.1434472g/mol
  • Isotope Atom Count: 9
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 110
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.1

γ-Butyrobetaine-d9 Hydrochloride Pricemore >>

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γ-Butyrobetaine-d9 Hydrochloride Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium bicarbonate Solvents: Methanol ;  15 min, rt
1.2 66 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Multiple Isotopic Labels for Quantitative Mass Spectrometry
Morano, Cain; et al, Analytical Chemistry (Washington, 2008, 80(23), 9298-9309

γ-Butyrobetaine-d9 Hydrochloride Raw materials

γ-Butyrobetaine-d9 Hydrochloride Preparation Products

γ-Butyrobetaine-d9 Hydrochloride Related Literature

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