Cas no 344298-96-0 (4-Aminobiphenyl-d9)

4-Aminobiphenyl-d9 is a deuterated analog of 4-aminobiphenyl, where nine hydrogen atoms are replaced with deuterium. This isotopic labeling enhances the compound's utility in mass spectrometry and NMR studies, providing improved signal resolution and reduced interference in analytical applications. Its stable isotopic composition makes it a valuable internal standard for quantitative analysis, particularly in environmental and toxicological research involving aromatic amines. The deuterium substitution also minimizes metabolic degradation, ensuring greater accuracy in tracer studies. 4-Aminobiphenyl-d9 is synthesized under controlled conditions to ensure high isotopic purity and chemical stability, meeting the stringent requirements of research and regulatory applications.
4-Aminobiphenyl-d9 structure
4-Aminobiphenyl-d9 structure
Product Name:4-Aminobiphenyl-d9
CAS No:344298-96-0
MF:C12H11N
MW:178.277898073196
CID:302465
PubChem ID:12219458
Update Time:2025-10-31

4-Aminobiphenyl-d9 Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl-2,2',3,3',4',5,5',6,6'-d9]-4-amine(9CI)
    • 4-Aminobiphenyl-d9
    • 4-AMINOBIPHENYL D9
    • 4-Aminobiphenyl-d91000μg
    • 4-AMINODIPHENYL-D9
    • 4-Aminobiphenyl D9 100 microg/mL in Acetone
    • 344298-96-0
    • 4-Aminobiphenyl-d9, 98 atom % D
    • [1,1'-Biphenyl-2,2',3,3',4',5,5',6,6'-d9]-4-amine (9CI); 4-Aminobiphenyl D9
    • D99331
    • d9-4-aminobiphenyl
    • (?H?)-[1,1'-biphenyl]-4-amine
    • 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)aniline
    • Inchi: 1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D
    • InChI Key: DMVOXQPQNTYEKQ-LOIXRAQWSA-N
    • SMILES: NC1C([2H])=C([2H])C(=C([2H])C=1[2H])C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]

Computed Properties

  • Exact Mass: 178.14600
  • Monoisotopic Mass: 178.145640069g/mol
  • Isotope Atom Count: 9
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 141
  • 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: 2.9
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • PSA: 26.02000
  • LogP: 3.51700

4-Aminobiphenyl-d9 Pricemore >>

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Additional information on 4-Aminobiphenyl-d9

4-Aminobiphenyl-d9 (CAS No. 344298-96-0): An Overview of a Deuterated Aromatic Amine

4-Aminobiphenyl-d9 (CAS No. 344298-96-0) is a deuterated derivative of the aromatic amine 4-aminobiphenyl. This compound is of significant interest in various fields, including organic synthesis, pharmaceutical research, and analytical chemistry. The deuterium atoms in 4-Aminobiphenyl-d9 provide unique advantages in terms of stability and detectability, making it a valuable tool for researchers and scientists.

The chemical structure of 4-Aminobiphenyl-d9 consists of two phenyl rings connected by a single bond, with an amino group (-NH2) attached to the fourth carbon atom of one of the rings. The deuterium atoms are substituted for hydrogen atoms at specific positions, enhancing the compound's isotopic purity and providing distinct spectroscopic properties. These properties are particularly useful in nuclear magnetic resonance (NMR) spectroscopy, where deuterated compounds can be easily distinguished from their non-deuterated counterparts.

In recent years, the use of deuterated compounds has gained traction in pharmaceutical research due to their potential to improve drug metabolism and pharmacokinetic properties. Deuteration can lead to increased metabolic stability, reduced toxicity, and improved bioavailability, making 4-Aminobiphenyl-d9 an attractive candidate for drug development. Studies have shown that deuterium substitution can significantly alter the metabolic pathways of drugs, thereby extending their half-life and enhancing their therapeutic efficacy.

4-Aminobiphenyl-d9 has also found applications in the field of materials science. Its unique electronic properties make it suitable for use in organic electronics, such as organic light-emitting diodes (OLEDs) and organic photovoltaic cells (OPVs). The presence of deuterium atoms can influence the electronic structure and charge transport properties of these materials, potentially leading to improved device performance.

In analytical chemistry, 4-Aminobiphenyl-d9 serves as an internal standard for quantitative analysis. The isotopic difference between the deuterated and non-deuterated forms allows for precise quantification of target analytes in complex matrices. This is particularly useful in environmental monitoring, where trace levels of contaminants need to be accurately measured.

The synthesis of 4-Aminobiphenyl-d9 involves several steps, including the preparation of the corresponding phenyl ring precursors and subsequent coupling reactions. The choice of synthetic route depends on factors such as yield, purity, and cost-effectiveness. Recent advancements in catalytic methods have led to more efficient and environmentally friendly synthesis strategies, reducing the overall impact on the environment.

Safety considerations are paramount when handling 4-Aminobiphenyl-d9. While it is not classified as a hazardous material, proper handling and storage practices should be followed to ensure workplace safety. Researchers should adhere to standard laboratory protocols and use appropriate personal protective equipment (PPE) when working with this compound.

In conclusion, 4-Aminobiphenyl-d9 (CAS No. 344298-96-0) is a versatile deuterated aromatic amine with a wide range of applications in pharmaceutical research, materials science, and analytical chemistry. Its unique properties make it an invaluable tool for scientists and researchers working in these fields. As ongoing research continues to uncover new applications and benefits, the importance of compounds like 4-Aminobiphenyl-d9 is likely to grow.

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