Cas no 362049-49-8 (Tryptamine-α,α-d2 HCl)

Tryptamine-α,α-d2 HCl is a deuterated analog of tryptamine, where two hydrogen atoms at the alpha position are replaced with deuterium. This isotopic labeling enhances the compound's stability, particularly in metabolic studies, by reducing the rate of C-H bond cleavage. The hydrochloride salt form ensures improved solubility and handling in experimental applications. This labeled derivative is valuable for pharmacokinetic and mechanistic research, as deuterium incorporation allows for precise tracking via mass spectrometry or NMR, minimizing interference from endogenous compounds. Its use is particularly advantageous in neuropharmacology and tracer studies, where isotopic purity and structural integrity are critical.
Tryptamine-α,α-d2 HCl structure
Tryptamine-α,α-d2 HCl structure
Product Name:Tryptamine-α,α-d2 HCl
CAS No:362049-49-8
MF:C10H13ClN2
MW:198.688944578171
CID:297086
PubChem ID:102602310
Update Time:2025-06-09

Tryptamine-α,α-d2 HCl Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-3-ethan-b,b-d2-amine, monohydrochloride (9CI)
    • TRYPTAMINE-α,α-D2 HCL
    • TryptaMine-a,a-d2 HCl
    • 362049-49-8
    • TRYPTAMINE-alpha,alpha-D2 HCL
    • 362049-48-7
    • 1,1-dideuterio-2-(1H-indol-3-yl)ethanamine;hydrochloride
    • F91415
    • Tryptamine-α,α-d2 HCl
    • Inchi： 1S/C10H12N2.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-4,7,12H,5-6,11H2;1H/i6D2;
    • InChI Key： KDFBGNBTTMPNIG-GZEMNZGQSA-N
    • SMILES： Cl.N1C=C(CC([2H])([2H])N)C2C=CC=CC1=2

Computed Properties

  • Exact Mass: 198.08900
  • Monoisotopic Mass: 198.089
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 147
  • 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: 41.8A^2

Experimental Properties

  • PSA: 41.81000
  • LogP: 3.17140

Tryptamine-α,α-d2 HCl Pricemore >>

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