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Buy NSI-189 - CAS 1270138-40-3

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NSI-189 phosphate CAS: 1270138-40-3 | Molecular formula: C22H30N4O5P | Molecular weight: 476.48 g/mol.

Product information

NSI-189 Phosphate – CAS 1270138-40-3

NSI-189 phosphate is supplied by Rexar as a chemical reference material for analytical chemistry, compound identification and laboratory-based comparison workflows. This material is intended for controlled research environments requiring verified chemical identity, salt-form specification and consistent analytical reproducibility.

NSI-189 phosphate (CAS 1270138-40-3) is available directly through the Rexar webshop and supplied in sealed laboratory packaging for distribution within the European Union.

Rexar Technical Compound Datasheet (PDF)

Structural overview and molecular architecture

NSI-189 phosphate is a substituted phenyl-piperazine derivative featuring a benzylpiperazine core linked to a substituted pyridine moiety via an amide functionality. The phosphate counterion forms a salt with the protonated amine group, influencing solubility, crystalline structure and analytical behavior.

The molecular framework combines aromatic systems, heterocyclic nitrogen atoms and aliphatic side chains, resulting in a structurally diverse small molecule. The presence of multiple nitrogen atoms contributes to defined protonation states under controlled pH conditions.

Salt form specification and analytical relevance

This product is supplied exclusively as the phosphate salt. Chemical identifiers, molecular weight and physicochemical characteristics differ between the free base and salt forms. All data presented on this page refers specifically to the phosphate salt (CAS 1270138-40-3).

The phosphate counterion may influence hygroscopic behavior, aqueous solubility and chromatographic retention characteristics. Accurate salt-form documentation is essential in laboratory comparison workflows to ensure consistent analytical reference standards.

Chemical identity and structural data

NSI-189 phosphate | CAS: 1270138-40-3 | Molecular formula: C22H30N4O5P | Molecular weight: 476.48 g/mol.

  • Chemical name: NSI-189 phosphate
  • IUPAC name: (4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)pyridin-3-yl]methanone; phosphoric acid
  • Salt form supplied: Phosphate
  • CAS number: 1270138-40-3
  • Molecular formula: C22H30N4O5P
  • Molar mass: 476.48 g/mol
  • Physical appearance: White to off-white crystalline powder

Electronic structure and heterocyclic systems

The aromatic pyridine ring contributes to electron delocalization and defined UV absorbance characteristics. The benzyl substituent adds hydrophobic character, while the piperazine ring introduces secondary amine functionalities capable of protonation.

Such heterocyclic arrangements create identifiable spectroscopic signatures in NMR and IR analysis. Proton environments within the aromatic system differ significantly from those within the aliphatic side chain, enabling structural confirmation.

Protonation behavior and pH-dependent characteristics

Due to the presence of multiple nitrogen atoms, NSI-189 exhibits defined protonation equilibria. In the phosphate salt form, protonation enhances aqueous compatibility relative to the neutral free base.

Controlled pH conditions during analytical preparation support reproducible retention times and peak integrity in chromatographic workflows.

Chromatographic profiling

NSI-189 phosphate may display moderate retention in reversed-phase HPLC systems due to its combined aromatic and aliphatic character. The phosphate counterion can influence peak symmetry and solubility in aqueous mobile phases.

Optimization of gradient composition, buffer selection and organic solvent percentage may improve resolution and reproducibility during analytical comparison.

Mass spectrometric characteristics

The molecular ion corresponding to the phosphate salt can be observed under appropriate ionization conditions. Fragmentation pathways often reflect cleavage of the benzyl group, piperazine moiety or amide linkage.

These fragmentation patterns support compound verification during LC-MS or high-resolution mass spectrometric analysis.

Solid-state behavior and crystalline stability

Phosphate salts may demonstrate defined crystalline packing influenced by ionic interactions between the protonated amine and phosphate counterion.

Proper storage in a dry environment minimizes potential hygroscopic effects and supports long-term structural stability.

Comparative structural classification

Within substituted phenyl-piperazine derivatives, NSI-189 phosphate occupies a structurally distinct position due to its pyridine substitution and amide linkage pattern.

The defined combination of aromatic, heterocyclic and aliphatic segments enables clear differentiation in analytical profiling relative to structurally related compounds.

Analytical and laboratory applications

NSI-189 phosphate may be used as a qualitative reference material in laboratory workflows including retention time comparison, spectral confirmation and analytical method optimization under standardized conditions.

  • Reference material for substituted phenyl-piperazine derivatives
  • Salt-form differentiation studies
  • Chromatographic and spectroscopic analysis (HPLC, NMR, UV, LC-MS)
  • Comparative profiling under controlled laboratory conditions

Packaging, availability and traceability

  • Supplied in sealed laboratory packaging
  • Clearly labeled for internal batch identification
  • Distributed within the European Union via the Rexar webshop

Handling and storage conditions

  • Storage: 8–20 °C, dry and protected from light
  • Handling: In accordance with standard laboratory safety procedures
  • Personal protection: Use appropriate laboratory protective equipment
  • Shelf life: Up to 24 months when stored correctly

Reference identifiers

  • CAS: 1270138-40-3
  • Molecular formula: C22H30N4O5P
  • Molecular weight: 476.48 g/mol

Additional public reference

Molecular structure data and selected physicochemical properties can be consulted via the public database: NSI-189 phosphate on PubChem

Molecular conformation and rotational flexibility

NSI-189 phosphate contains multiple rotatable bonds within its aliphatic side chain and piperazine linkage. While the aromatic systems remain structurally rigid, the aliphatic substituents allow limited conformational variability under solution conditions.

This balance between rigid aromatic domains and flexible aliphatic segments may influence molecular packing, solubility behavior and chromatographic dispersion characteristics during analytical profiling.

Hydrogen bonding and intermolecular interactions

The amide linkage and protonated amine groups provide potential hydrogen bond donor and acceptor sites. In the phosphate salt form, ionic interactions between the protonated nitrogen atoms and phosphate counterion contribute to solid-state stability.

Such intermolecular forces can influence crystalline morphology, powder flow characteristics and moisture sensitivity under controlled storage conditions.

UV-Visible absorption characteristics

The aromatic pyridine and benzyl systems contribute to characteristic UV absorbance regions. These absorption features may be used in spectrophotometric identification or purity assessment under standardized laboratory settings.

Defined absorbance maxima assist in method validation when establishing reference detection parameters in chromatographic workflows.

Thermal stability and degradation considerations

Under recommended storage conditions, NSI-189 phosphate maintains physical stability. Elevated temperature exposure may accelerate degradation pathways typical for substituted heterocyclic amide structures.

Protection from prolonged heat and direct light exposure supports long-term integrity of the phosphate salt.

Comparative salt-form evaluation

When comparing phosphate salts to alternative salt forms of substituted amine compounds, differences may be observed in hygroscopicity, solubility and chromatographic retention behavior.

Accurate documentation of salt form is therefore essential in laboratory reference contexts to ensure reproducibility between batches and analytical runs.

Elemental composition and analytical confirmation

Elemental analysis of carbon, hydrogen, nitrogen and phosphorus content provides additional confirmation of molecular identity. Deviations from theoretical values may indicate residual solvents or impurities.

Combined use of HPLC, NMR and LC-MS methodologies supports comprehensive analytical verification within controlled laboratory environments.

Solid-state handling characteristics

Fine crystalline powders may exhibit electrostatic behavior depending on humidity levels. Controlled environmental handling minimizes aggregation and ensures consistent sampling accuracy.

Sealed laboratory packaging protects the material during storage and transport within the European Union distribution network.

Frequently asked technical questions

What is the CAS number of NSI-189 phosphate?
The CAS number is 1270138-40-3.

Is this the phosphate salt form?
Yes. This product is supplied exclusively as the phosphate salt.

Does this page refer to the free base?
No. All reference information on this page relates specifically to the phosphate salt form.

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

Is NSI-189 phosphate available for shipment within the EU?
Yes. Orders are supplied in sealed laboratory packaging via the Rexar webshop.

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.

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Specifications

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
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