Cas no 362049-58-9 (2,6-Diaminotoluene-d3)

2,6-Diaminotoluene-d3 is a deuterated analog of 2,6-diaminotoluene, where three hydrogen atoms are replaced with deuterium. This isotopic labeling enhances its utility in mass spectrometry and NMR studies, providing improved signal resolution and reduced interference in analytical applications. The compound is particularly valuable as an internal standard for quantitative analysis, ensuring high accuracy and reproducibility in trace-level detection. Its stability and isotopic purity make it suitable for research in pharmaceuticals, environmental science, and material chemistry. The deuterium substitution minimizes metabolic interference in biological studies, facilitating precise tracking in isotopic labeling experiments.
2,6-Diaminotoluene-d3 structure
2,6-Diaminotoluene-d3 structure
Product Name:2,6-Diaminotoluene-d3
CAS No:362049-58-9
MF:C7H10N2
MW:125.186186313629
CID:297093
PubChem ID:71309934
Update Time:2025-05-28

2,6-Diaminotoluene-d3 Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenediamine,2-(methyl-d3)- (9CI)
    • 2,6-Diaminotoluene-d3
    • 2,6-DIAMINOTOLUENE-D3,OFF-WHITE SOLID
    • 2,6-Diaminotoluene-
    • 2,6-Toluylenediamine-d3
    • 2,6-Tolylenediamine-d3
    • 2-Methyl-d3-m-phenylenediamine
    • A-d3
    • Toluene-2,6-diamine-d3
    • D98855
    • 2-(trideuteriomethyl)benzene-1,3-diamine
    • 2,6-Diaminotoluene-alpha,alpha,alpha-d3, 97 atom % D, 98% (CP)
    • 362049-58-9
    • 2,6-DIAMINOTOLUENE-ALPHA,ALPHA,ALPHA-D3
    • DTXSID10746008
    • 2-(~2~H_3_)Methylbenzene-1,3-diamine
    • Inchi： 1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3/i1D3
    • InChI Key： RLYCRLGLCUXUPO-FIBGUPNXSA-N
    • SMILES： NC1C=CC=C(C=1C([2H])([2H])[2H])N

Computed Properties

  • Exact Mass: 125.10300
  • Monoisotopic Mass: 125.103228565g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 82.9
  • 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: 0.9
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • Melting Point: 102-104°C
  • PSA: 52.04000
  • LogP: 2.32180

2,6-Diaminotoluene-d3 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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