Cas no 58640-01-0 (Tert-Butyl 4-aminobutanoate hydrochloride)

Tert-Butyl 4-aminobutanoate hydrochloride is a protected amino acid derivative commonly used in organic synthesis and pharmaceutical research. The tert-butyl ester group provides stability under basic conditions, while the hydrochloride salt enhances solubility and handling. This compound serves as a versatile intermediate in peptide synthesis and medicinal chemistry, particularly for introducing the 4-aminobutanoate (GABA) moiety with controlled deprotection. Its crystalline form ensures consistent purity, and the hydrochloride salt improves shelf life. The tert-butyl protection strategy allows selective manipulation of functional groups in multi-step syntheses, making it valuable for constructing complex molecules. Suitable for controlled reactions, it is often employed in the development of bioactive compounds and fine chemicals.
Tert-Butyl 4-aminobutanoate hydrochloride structure
58640-01-0 structure
Product Name:Tert-Butyl 4-aminobutanoate hydrochloride
CAS No:58640-01-0
MF:C8H18ClNO2
MW:195.68702173233
MDL:MFCD00270592
CID:365998
PubChem ID:24750478
Update Time:2025-06-14

Tert-Butyl 4-aminobutanoate hydrochloride Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 4-aminobutanoate hydrochloride
    • H-γ-Abu-OtBu.HCl
    • Butanoic acid,4-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1)
    • gamma-Aminobutyric acid t-butyl ester hydrochloride
    • H-GABA-OtBu.HCl
    • H-G-ABU-OTBU . HCL
    • H-g-Abu-otBu HCl
    • H-gama-Abu-OtBu.HCl (tert-butyl 4-amino-butyrate.HCl)
    • H-GAMMA-ABU-OTBU HCL
    • H-γ-Abu-OtBu · HCl
    • γ-Aminobutyric acid tert-butyl ester hydrochloride
    • H-Gamma-Abu-OtBu
    • 4-Aminobutyric acid tert-butyl ester hydrochloride
    • tert-Butyl gamma-aminobutyrate hydrochloride
    • H-
    • A-Abu-OtBu.HCl
    • H-gamma-Abu-OtBu.HCl
    • gamma-Aminobutyric acid t-butyl ester HCl
    • H-gamma-Abu-OtBu-HCl
    • H-.gamma.-Abu-OtBu.HCl
    • H-Gamma-Abu-OtBu hydrochloride
    • CZVNLCOJFFYZPG-UHFFFAOYSA-N
    • VZ33757
    • TERT-BUTYL 4-AMINOBUTANOATE HCL
    • 58640-01-0
    • MFCD00270592
    • H-gamma-Abu-OtBu hydrochloride, AldrichCPR
    • SY042945
    • gamma-aminobutyric acid tert-butyl ester hydrochloride salt
    • tert-Butyl 4-aminobutyrate hydrochloride
    • AS-17861
    • tert-Butyl 4-aminobutanoate--hydrogen chloride (1/1)
    • H-Abu(4)-OtBu.HCl
    • A869390
    • 4-amino-butyric acid tert-butyl ester HCl salt
    • CS-W005632
    • 4-aminobutyric acid tert. butyl ester hydrochloride
    • tert-butyl 4-aminobutanoate;hydrochloride
    • H-GABA-OtBu HCl
    • AKOS015910108
    • EN300-96354
    • DTXSID10647182
    • SCHEMBL1093848
    • FT-0698642
    • 4-Aminobutanoic acid tert-butyl ester HCl
    • tert-Butyl 4-Aminobutanoate Hydrochloride; tert-Butyl 4-Aminobutyric Acid Hydrochloride Ester; 4-Amino-1,1-dimethylethyl Butanoic Acid Hydrochloride Ester
    • DA-04643
    • Tert-Butyl 4-aminobutanoate hydrochloride
    • MDL: MFCD00270592
    • Inchi: 1S/C8H17NO2.ClH/c1-8(2,3)11-7(10)5-4-6-9;/h4-6,9H2,1-3H3;1H
    • InChI Key: CZVNLCOJFFYZPG-UHFFFAOYSA-N
    • SMILES: Cl.O(C(CCCN)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 195.10300
  • Monoisotopic Mass: 195.1026065g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 127
  • 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: 52.3

Experimental Properties

  • Color/Form: No data available
  • Melting Point: 138-145°C
  • Boiling Point: No data available
  • Flash Point: No data available
  • PSA: 52.32000
  • LogP: 2.56930
  • Vapor Pressure: No data available

Tert-Butyl 4-aminobutanoate hydrochloride Security Information

Tert-Butyl 4-aminobutanoate hydrochloride Customs Data

  • HS CODE:2922499990
  • Customs Data:

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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Additional information on Tert-Butyl 4-aminobutanoate hydrochloride

Comprehensive Overview of Tert-Butyl 4-aminobutanoate hydrochloride (CAS No. 58640-01-0)

Tert-Butyl 4-aminobutanoate hydrochloride (CAS No. 58640-01-0) is a specialized organic compound widely utilized in pharmaceutical synthesis and biochemical research. This compound, often referred to as 4-aminobutanoic acid tert-butyl ester hydrochloride, serves as a key intermediate in the production of neuromodulators and other bioactive molecules. Its unique chemical structure, combining a tert-butyl ester group with a 4-aminobutanoic acid backbone, makes it invaluable for controlled-release formulations and targeted drug delivery systems.

In recent years, the demand for Tert-Butyl 4-aminobutanoate hydrochloride has surged due to its role in developing treatments for neurological disorders, a hot topic in medical research. Researchers frequently search for "58640-01-0 solubility" or "Tert-Butyl 4-aminobutanoate hydrochloride synthesis," reflecting its relevance in lab protocols. The compound’s stability under physiological conditions and compatibility with peptide coupling reagents further enhance its appeal for prodrug design and bioconjugation applications.

From a synthetic chemistry perspective, CAS 58640-01-0 is prized for its high purity (>98%) and low hygroscopicity, critical for reproducible results in GMP-compliant manufacturing. Analytical techniques like HPLC and NMR are commonly employed to verify its structural integrity, as discussed in forums addressing "58640-01-0 characterization." Its hydrochloride salt form improves solubility in polar solvents, facilitating reactions in aqueous media—a feature highlighted in queries such as "Tert-Butyl 4-aminobutanoate HCl uses."

Environmental and safety considerations are also prominent in discussions about this compound. While not classified as hazardous, proper handling of Tert-Butyl 4-aminobutanoate hydrochloride requires standard lab precautions, as noted in searches for "58640-01-0 safety data sheet." Its biodegradability and minimal ecotoxicity align with the growing emphasis on green chemistry, making it a sustainable choice for industrial-scale applications.

Innovations in drug delivery systems have further spotlighted this compound. For instance, its ester group enables slow hydrolysis in vivo, a property explored in studies tagged with "controlled-release 4-aminobutanoate derivatives." Additionally, its compatibility with solid-phase peptide synthesis (SPPS) has made it a staple in producing therapeutic peptides, a rapidly expanding market segment.

In summary, Tert-Butyl 4-aminobutanoate hydrochloride (CAS No. 58640-01-0) bridges multiple disciplines—from medicinal chemistry to materials science. Its versatility and alignment with current trends like precision medicine and sustainable synthesis ensure its continued prominence in scientific literature and industrial workflows.

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