Cas no 1219805-82-9 (N-Acetyl-d3-glycine-2,2-d2)

N-Acetyl-d3-glycine-2,2-d2 structure
N-Acetyl-d3-glycine-2,2-d2 structure
Product Name:N-Acetyl-d3-glycine-2,2-d2
CAS No:1219805-82-9
MF:C4H2D5NO3
MW:122.13g/mol
CID:1004352
PubChem ID:131869422
Update Time:2024-11-04

N-Acetyl-d3-glycine-2,2-d2 Chemical and Physical Properties

Names and Identifiers

    • N-ACETYL-D3-GLYCINE-2,2-D2
    • CID 131869422
    • (Acetyl-d3)glycine-2,2-d2
    • DB-320872
    • N-Acetylglycine-d5
    • 2,2-dideuterio-2-[(2,2,2-trideuterioacetyl)amino]acetic acid
    • HY-Y0069S
    • CS-0438445
    • N-Acetylglycine-d5; N-Acetyl-d3-glycine-2,2-d2; N-Acetylglycine-D5 (N-acetyl,2,2-D5); N-Acetylglycine-d5; 2-(Acet-d3-amido)acetic-2,2-d2 acid
    • 1219805-82-9
    • D99410
    • N-Acetyl-d3-glycine-2,2-d2
    • Inchi: 1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)/i1D3,2D2
    • InChI Key: OKJIRPAQVSHGFK-ZBJDZAJPSA-N
    • SMILES: OC(C([2H])([2H])NC(C([2H])([2H])[2H])=O)=O

Computed Properties

  • Exact Mass: 122.073976815g/mol
  • Monoisotopic Mass: 122.073976815g/mol
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 110
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.2
  • Topological Polar Surface Area: 66.4

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.2±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 405.1±28.0 °C at 760 mmHg
  • Flash Point: 198.8±24.0 °C
  • Solubility: Water (Slightly)
  • Vapor Pressure: No data available

N-Acetyl-d3-glycine-2,2-d2 Security Information

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