Cas no 6939-21-5 (2-(butan-2-yl)aminoacetic acid hydrochloride)

2-(Butan-2-yl)aminoacetic acid hydrochloride is a chemically synthesized derivative of glycine, featuring a secondary butylamine substitution at the α-position. This compound is primarily utilized in organic synthesis and pharmaceutical research as a versatile intermediate for the preparation of more complex molecules. Its hydrochloride salt form enhances solubility and stability, facilitating handling and storage. The structural modification imparts unique steric and electronic properties, making it valuable for studying structure-activity relationships in drug design. The compound’s well-defined purity and consistent performance ensure reliable results in synthetic applications. Its utility spans peptide modifications, ligand development, and as a building block for bioactive compounds.
2-(butan-2-yl)aminoacetic acid hydrochloride structure
6939-21-5 structure
Product Name:2-(butan-2-yl)aminoacetic acid hydrochloride
CAS No:6939-21-5
MF:C6H14ClNO2
MW:167.633861064911
CID:527925
PubChem ID:24186929
Update Time:2025-10-31

2-(butan-2-yl)aminoacetic acid hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Glycine,N-(1-methylpropyl)-, hydrochloride (9CI)
    • 2-(butan-2-ylamino)acetic acid,hydrochloride
    • AC1Q39MA
    • AG-B-86995
    • CTK6B0225
    • NSC56787
    • NSC-56787
    • NSC56790
    • NSC-56790
    • DTXSID00637294
    • 2-[(butan-2-yl)amino]acetic acid hydrochloride
    • 2-(butan-2-ylamino)acetic acid hydrochloride
    • EN300-41757
    • Z425484950
    • N-Butan-2-ylglycine--hydrogen chloride (1/1)
    • AKOS008119066
    • 2-[(butan-2-yl)amino]aceticacidhydrochloride
    • 2-(butan-2-ylamino)acetic acid;hydrochloride
    • 6939-21-5
    • 2-(butan-2-yl)aminoacetic acid hydrochloride
    • Inchi: 1S/C6H13NO2.ClH/c1-3-5(2)7-4-6(8)9;/h5,7H,3-4H2,1-2H3,(H,8,9);1H
    • InChI Key: CXYKQJSHEIETDK-UHFFFAOYSA-N
    • SMILES: Cl.OC(CNC(C)CC)=O

Computed Properties

  • Exact Mass: 167.071
  • Monoisotopic Mass: 167.071
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 93.1
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.3A^2

Experimental Properties

  • Density: 0.998
  • Boiling Point: 214.8°Cat760mmHg
  • Flash Point: 83.7°C
  • Refractive Index: 1.444

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2-(butan-2-yl)aminoacetic acid hydrochloride Related Literature

Additional information on 2-(butan-2-yl)aminoacetic acid hydrochloride

Comprehensive Analysis of 2-(butan-2-yl)aminoacetic acid hydrochloride (CAS No. 6939-21-5): Properties, Applications, and Industry Insights

In the realm of specialty chemicals, 2-(butan-2-yl)aminoacetic acid hydrochloride (CAS No. 6939-21-5) stands out as a versatile compound with significant applications in pharmaceuticals, agrochemicals, and biochemical research. This hydrochloride salt, derived from the amino acid glycine, is gaining attention due to its unique structural properties and functional versatility. Researchers and industry professionals are increasingly exploring its potential in drug synthesis, peptide modification, and as a chiral building block in asymmetric synthesis.

The molecular structure of 2-(butan-2-yl)aminoacetic acid hydrochloride features a secondary butyl group attached to the amino nitrogen, which enhances its lipophilicity compared to simpler amino acid derivatives. This property makes it particularly valuable in the design of bioactive molecules with improved membrane permeability. Recent studies highlight its role in optimizing pharmacokinetic profiles of lead compounds, addressing one of the most pressing challenges in modern drug discovery – oral bioavailability enhancement.

From a synthetic chemistry perspective, the CAS 6939-21-5 compound offers several advantages. Its crystalline nature ensures high purity, while the hydrochloride salt form provides excellent solubility in aqueous systems – a critical factor for formulation development. Analytical data from HPLC and NMR studies confirm its stability under standard storage conditions, making it a reliable reagent for laboratory and industrial applications. The compound's melting point (typically 180-185°C with decomposition) and spectral characteristics are well-documented in technical literature.

In the context of current industry trends, 2-(butan-2-yl)aminoacetic acid hydrochloride aligns with the growing demand for custom amino acid derivatives in medicinal chemistry. Pharmaceutical companies are particularly interested in its potential as a prodrug moiety, where the butylamino group can serve as a biodegradable carrier for active pharmaceutical ingredients. This application addresses the increasing need for targeted drug delivery systems, a hot topic in precision medicine research.

The compound's role in peptide engineering deserves special mention. As researchers develop more complex peptide therapeutics, modified amino acids like 2-(butan-2-yl)aminoacetic acid provide crucial tools for introducing structural diversity. Its incorporation into peptide chains can enhance metabolic stability without significantly altering the overall conformation – a key consideration in the design of peptide-based drugs for diabetes, oncology, and cardiovascular diseases.

Quality control specifications for CAS 6939-21-5 typically include stringent limits on residual solvents and heavy metals, reflecting its pharmaceutical-grade status. Manufacturers employ advanced purification techniques such as recrystallization from appropriate solvent systems to achieve the required purity levels (>98% by HPLC). These quality standards ensure batch-to-batch consistency, which is essential for regulatory compliance in cGMP environments.

From an environmental standpoint, 2-(butan-2-yl)aminoacetic acid hydrochloride demonstrates favorable biodegradability characteristics in standard OECD tests. This ecological profile makes it an attractive option for companies implementing green chemistry principles in their synthetic workflows. The compound's manufacturing process has been optimized to minimize waste generation, aligning with the pharmaceutical industry's commitment to process sustainability.

Looking ahead, the market for specialized amino acid derivatives like 2-(butan-2-yl)aminoacetic acid hydrochloride is projected to grow significantly. This growth is driven by expanding applications in bioconjugation chemistry and the development of novel small molecule therapeutics. As research continues to uncover new uses for this versatile building block, its importance in both academic and industrial settings is likely to increase substantially in the coming years.

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