Phenibut HCl (β-Phenyl-γ-aminobutyric acid) – CAS 3060-41-1

Phenibut hydrochloride (HCl) is supplied by Rexar as a research-grade chemical reference material for analytical chemistry, structural verification and laboratory-based comparison workflows. This compound is provided exclusively for controlled research environments requiring confirmed chemical identity, reproducible analytical characteristics and consistent reference documentation.

Phenibut HCl (CAS 3060-41-1) is available directly through the Rexar webshop and is supplied in sealed laboratory packaging for distribution within the European Union.

Rexar Technical Compound Datasheet (PDF)

Comprehensive structural overview

Phenibut is a phenyl-substituted derivative of gamma-aminobutyric acid (GABA). Structurally, it consists of a four-carbon backbone bearing both an amino group and a carboxylic acid functionality, combined with a phenyl ring substitution at the beta position. This substitution results in a hybrid molecule containing both amino acid characteristics and aromatic structural features.

The compound can be classified as a substituted amino acid analogue. The presence of both amine and carboxylic acid functional groups gives the molecule amphoteric properties, while the phenyl ring introduces aromatic character and hydrophobic structural elements. These combined domains influence its physicochemical and analytical behaviour.

Amino acid derivative chemistry

As a substituted gamma-aminobutyric acid analogue, Phenibut contains a primary amine group and a carboxylic acid group within the same molecular framework. Compounds of this type may exhibit zwitterionic characteristics depending on pH conditions. In salt form, the protonation state of the amine functionality is stabilised through interaction with the hydrochloride counterion.

The presence of both acidic and basic functional groups allows for distinct behaviour under various analytical conditions. Protonation state, ionic strength and solvent environment can influence chromatographic retention and spectroscopic response.

Hydrochloride salt form and ionic characteristics

This product is supplied exclusively as Phenibut hydrochloride (HCl). In hydrochloride salt form, the amine group is protonated and associated with a chloride counterion. Salt formation often improves stability, handling characteristics and reproducibility in analytical workflows.

Chemical identifiers and molecular properties may differ between free acid, free base and salt forms. Unless explicitly stated otherwise, all reference data on this page relate to the hydrochloride salt (CAS 3060-41-1).

Hydrochloride salts are commonly encountered in analytical chemistry due to their defined crystalline behaviour and consistent elemental composition. The presence of chloride may be confirmed via elemental analysis when required.

Molecular architecture and bonding characteristics

The molecular formula C₁₀H₁₃NO₂ (hydrochloride salt) describes a covalently bonded structure composed of carbon, hydrogen, nitrogen and oxygen atoms arranged in a substituted amino acid configuration. The phenyl ring contributes aromatic pi-electron delocalisation, while the aliphatic chain contains sigma-bonded carbon atoms forming the butyric acid backbone.

The amine functionality and carboxylic acid group generate characteristic spectroscopic signals. In proton NMR spectroscopy, aromatic protons typically appear in a distinct chemical shift region separate from aliphatic chain protons. The carboxyl and amine environments may produce identifiable signals depending on solvent and protonation state.

Infrared spectroscopy may reveal absorption bands corresponding to carboxylic acid stretching vibrations, N-H stretching modes and aromatic ring vibrations. These spectral characteristics support structural confirmation in laboratory environments.

Physicochemical profile

Phenibut hydrochloride is typically encountered as a white crystalline powder under standard laboratory conditions. Crystalline salt forms often display consistent melting behaviour and defined solid-state morphology.

Analytical parameters relevant in laboratory workflows may include:

• Molecular mass confirmation via mass spectrometry
• Proton and carbon NMR spectral verification
• Infrared absorption bands corresponding to amine and carboxyl groups
• Retention time behaviour in HPLC or UHPLC systems
• Elemental composition analysis

The aromatic phenyl substitution influences hydrophobic interaction during chromatographic separation, while the ionic salt form may affect solubility characteristics under defined analytical conditions.

Registry information and structural identifiers

Phenibut hydrochloride is registered under CAS number 3060-41-1 and indexed in international chemical databases. Registry entries typically include molecular structure diagrams, SMILES notation, InChI identifiers and classification metadata relevant to substituted amino acid derivatives.

• Chemical name: β-Phenyl-γ-aminobutyric acid
• IUPAC name: β-(aminomethyl)-benzenepropanoic acid, monohydrochloride
• Other names: γ-Amino-β-phenylbutyric Acid, β-phenyl-γ-Aminobutyric Acid, β-phenyl-GABA
• Salt form supplied: Hydrochloride (HCl)
• CAS number (HCl): 3060-41-1
• Molecular formula: C₁₀H₁₃NO₂
• Molecular weight: 179.22 g/mol
• Physical form: White crystalline powder

Analytical applications in laboratory environments

Phenibut hydrochloride may serve as a qualitative reference material in laboratory workflows involving structural verification and comparative analysis of substituted amino acid derivatives.

• Retention time comparison in chromatographic systems
• Spectroscopic structural confirmation using NMR or IR techniques
• Comparative profiling of phenyl-substituted amino acid analogues
• Method development and validation procedures
• Reference material in small molecule identification workflows

The defined molecular structure and salt form contribute to reproducible analytical characteristics under controlled laboratory conditions.

Material consistency and traceability

As a research-grade chemical reference material, Phenibut hydrochloride is supplied in sealed laboratory packaging to preserve integrity during storage and transport. Internal batch identification labeling supports traceability within laboratory documentation systems.

Packaging and storage conditions

• Sealed laboratory packaging
• Store between 8–20 °C in a dry, dark environment
• Protect from excessive moisture
• Handle according to standard laboratory safety protocols
• Shelf life up to 24 months when stored under recommended conditions

Additional public reference

Phenibut on PubChem

Frequently asked technical questions

Is this the hydrochloride (HCl) form?
Yes. This material is supplied exclusively as Phenibut hydrochloride (HCl).

What is the CAS number of Phenibut HCl?
The CAS number for the hydrochloride salt is 3060-41-1.

Is this product intended for human or animal use?
No. This product is supplied strictly as a laboratory reference material.

Is the product available for shipment within the EU?
Yes. Materials are supplied through the Rexar webshop in sealed laboratory packaging.

Extended structural and analytical context of substituted GABA analogues

Phenibut hydrochloride can be positioned within the broader class of substituted gamma-aminobutyric acid analogues that combine amino acid backbones with aromatic substitution. Within structural chemistry, compounds of this type are frequently analysed in relation to how aromatic substitution alters physicochemical properties compared to unsubstituted amino acids.

The gamma-aminobutyric acid backbone consists of a four-carbon chain terminating in a carboxylic acid group, with an amino group located at the gamma position. In Phenibut, the introduction of a phenyl group at the beta position results in a modified carbon framework that incorporates both aliphatic and aromatic structural domains. This structural modification changes the overall molecular mass, steric profile and analytical behaviour compared to simple amino acids.

Amino acid derivatives containing aromatic substitution often display altered chromatographic retention compared to fully aliphatic analogues. In reversed-phase liquid chromatography systems, aromatic rings can increase hydrophobic interactions with the stationary phase, thereby influencing retention time characteristics under controlled solvent gradients. The ionic nature of the hydrochloride salt further contributes to behaviour in aqueous-organic mobile phases.

From a structural verification standpoint, substituted GABA analogues can be differentiated through combined spectroscopic and chromatographic techniques. Proton NMR spectra typically show distinct aromatic proton signals separate from aliphatic chain protons. The methylene groups of the butyric acid backbone generate characteristic signals that can be distinguished from the phenyl ring environment. Carbon-13 NMR analysis may further confirm substitution patterns and carbon framework integrity.

In infrared spectroscopy, the presence of both amine and carboxyl functional groups contributes identifiable absorption bands. The carboxylic acid group may show characteristic stretching vibrations, while the protonated amine group in hydrochloride salt form can generate distinguishable N-H related bands. Aromatic C-H stretching and ring vibration modes provide additional structural confirmation.

The hydrochloride salt form plays an important role in material consistency and analytical reproducibility. Salt formation stabilises the protonated amine group and creates a defined ionic compound with chloride as counterion. In elemental analysis, chloride content may be verified alongside carbon, hydrogen and nitrogen percentages to confirm composition.

Crystalline salt forms frequently demonstrate reproducible melting behaviour and defined hygroscopic characteristics under controlled humidity conditions. Proper storage in sealed containers protects against moisture uptake and preserves material consistency over extended periods.

When comparing Phenibut hydrochloride to structurally related substituted amino acids, differences in substitution pattern and aromatic incorporation define registry classification and molecular descriptors. International chemical registries include structural identifiers such as SMILES strings and InChI codes, which provide machine-readable representations of the molecule for documentation and database cross-referencing.

The combination of amino acid functionality, aromatic substitution and defined salt form establishes Phenibut hydrochloride as a structurally distinctive small molecule compound. These features form the basis for its application as a chemical reference material within controlled laboratory environments focused on analytical verification and structural comparison.

Disclaimer

This product is intended for laboratory research use only. It is not intended for human or animal consumption, nor for medical, diagnostic or therapeutic applications. Use is restricted to appropriate research environments.