Teacrine, also known as Theacrine, is supplied by Rexar as a chemical reference material for analytical chemistry, compound identification and laboratory-based comparison workflows. This material is intended exclusively for controlled research environments requiring verified chemical identity and consistent reference-grade specifications.
Teacrine (CAS 2309-49-1) is available directly through the Rexar webshop and supplied in sealed laboratory packaging for distribution within the EU. Each batch is labeled for internal traceability and laboratory reference use.
Rexar Technical Compound Datasheet (PDF)
Teacrine | Theacrine | CAS: 2309-49-1 | Molecular formula: C9H12N4O3 | Molecular weight: 224.22 g/mol.
Teacrine belongs to the purine alkaloid class and is structurally related to methylxanthine derivatives. The core structure consists of a substituted purine ring system with four methyl substitutions and three carbonyl groups.
The presence of multiple carbonyl functionalities and ring nitrogen atoms contributes to its polarity and hydrogen-bonding potential. These structural features influence solubility behavior, chromatographic retention and spectroscopic characteristics.
Teacrine shares a purine backbone with compounds such as caffeine and theobromine; however, differences in oxidation state and substitution pattern result in distinct physicochemical properties. The additional carbonyl functionality differentiates tetramethyluric acid derivatives from classical methylxanthines.
From an analytical standpoint, these differences are reflected in chromatographic retention time, UV absorption maxima and fragmentation behavior under LC-MS conditions.
The molecule does not contain strongly ionizable groups under neutral conditions, which affects its chromatographic mobility in reversed-phase systems.
Teacrine is typically observed as a white to off-white crystalline powder. Its solubility profile depends on solvent polarity, with moderate solubility in polar organic solvents and limited solubility in non-polar systems.
Key physicochemical considerations for laboratory handling include:
Teacrine may be used as a qualitative reference material in analytical workflows, including retention time comparison, spectral confirmation and compositional verification under standard laboratory conditions.
In reversed-phase HPLC systems, Teacrine demonstrates moderate retention depending on mobile phase composition and column polarity. Gradient elution systems may be employed to optimize separation from structurally related purine derivatives.
Detection wavelengths in the UV range are typically selected based on purine chromophore absorption maxima.
Under electrospray ionization conditions, Teacrine may produce characteristic fragmentation patterns associated with methyl group cleavage and purine ring fragmentation. These fragmentation signatures can assist in structural confirmation during analytical validation.
As a crystalline material, Teacrine may exhibit defined lattice arrangements. X-ray powder diffraction (XRPD) can be used to evaluate crystalline phase identity. Polymorphic variation, if present, may influence solubility and handling properties.
Thermal analysis may indicate decomposition rather than a sharply defined melting point. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) can be used to assess thermal stability under controlled laboratory conditions.
Molecular structure data and selected physicochemical properties can be consulted via the public database: Teacrine on PubChem .
Teacrine is indexed in chemical databases under purine alkaloids and methyluric acid derivatives. Registry metadata typically includes structural diagrams, SMILES notation and InChI identifiers for compound verification.
What is the CAS number of Teacrine?
The CAS number of Teacrine is 2309-49-1.
Is Teacrine structurally related to caffeine?
Yes. Both share a purine backbone, although substitution and oxidation patterns differ.
In which form is Teacrine supplied?
This product is supplied as a white to off-white crystalline powder in sealed laboratory packaging.
Can Teacrine be used for chromatographic method validation?
Yes, when used as a qualitative reference compound within appropriate laboratory protocols.
Is this product intended for human or animal use?
No. This material is supplied exclusively as a laboratory reference compound.
Is Teacrine available for shipment within the EU?
Yes. Orders are supplied through the Rexar webshop in sealed laboratory packaging.
The purine core of Teacrine consists of a fused imidazole–pyrimidine ring system. The electron distribution across the heterocyclic structure is influenced by methyl substitution at the 1,3,7 and 9 positions. These substitutions alter electron density and may affect UV absorption maxima and ionization behavior under analytical conditions.
The presence of three carbonyl groups contributes to a defined electronic configuration. Conjugation across the purine ring system results in characteristic UV absorbance patterns, typically observable in the 250–280 nm region depending on solvent and concentration.
Although fully methylated at four nitrogen positions, Teacrine retains multiple carbonyl groups capable of acting as hydrogen bond acceptors. In solid-state form, intermolecular interactions may include dipole–dipole forces and weak hydrogen bonding via carbonyl oxygen atoms.
Such interactions influence crystallinity, powder morphology and dissolution behavior.
Solubility characteristics vary depending on solvent polarity. Teacrine typically exhibits:
Solubility assessment may be relevant during analytical method development or comparative profiling.
While Teacrine does not contain strongly ionizable functional groups under neutral conditions, extreme pH environments may influence stability. Acidic or basic hydrolysis under forced degradation conditions may be evaluated during stability studies.
Laboratory stability evaluation may include exposure to:
These studies assist in understanding degradation pathways and ensuring analytical specificity.
Under MS conditions, fragmentation may occur via demethylation pathways or cleavage of the purine ring system. Characteristic fragment ions support compound confirmation in LC-MS workflows.
From a structural perspective, Teacrine differs from caffeine primarily by oxidation at specific ring positions. This structural variation influences polarity and chromatographic retention characteristics.
Retention time differences may be used for analytical discrimination between structurally related purine derivatives.
Teacrine may exist in crystalline form with defined lattice arrangements. Polymorphic variations, if present, may influence dissolution rate and powder flow characteristics. XRPD analysis may be used to evaluate solid-state consistency.
Quality control laboratories may employ multiple analytical techniques for identity confirmation:
Does Teacrine contain a purine ring system?
Yes. The structure is based on a substituted purine framework.
Is Teacrine classified as a methyluric acid derivative?
Yes. It is chemically identified as 1,3,7,9-tetramethyluric acid.
Does methyl substitution affect analytical behavior?
Yes. Methyl groups influence polarity, retention time and fragmentation patterns.
Is polymorphism relevant for laboratory reference use?
Solid-state consistency may influence handling characteristics but does not alter molecular identity.
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.
| Intended use: | Laboratory research and analytical reference purposes only |
| Application area: | Analytical chemistry, reference comparison and method development |
| End user: | Professional users in controlled research environments |
| Regulatory classification: | Chemical reference material |
