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5-Amino-1MQ CAS: 42464-96-0 | Molecular formula: C10H11N3O | Molecular weight: 189.21 g/mol.

Información del Producto

5-Amino-1MQ – CAS 42464-96-0

5-Amino-1MQ (CAS 42464-96-0) is supplied by Rexar as a research-grade chemical reference material for analytical chemistry, structural verification and laboratory comparison workflows. This compound is provided exclusively for controlled research environments requiring confirmed chemical identity, reproducible analytical behaviour and consistent documentation standards.

5-Amino-1MQ is available directly through the Rexar webshop and supplied in sealed laboratory packaging for distribution within the European Union.

Rexar Technical Compound Datasheet (PDF)

Safety Data Sheet (SDS)

Additional public reference

5-Amino-1MQ on PubChem

Comprehensive structural overview

5-Amino-1MQ is a quinolinium-derived aromatic compound featuring a fused bicyclic ring system (quinoline/quinolinium framework) with a methylated ring nitrogen and an amino substituent. The structure presents a rigid, planar aromatic core that supports predictable spectroscopic signatures and consistent chromatographic behaviour under controlled laboratory conditions.

The presence of a cationic quinolinium centre (N-methylated ring nitrogen) influences polarity and interaction potential with mobile phases and stationary phases in chromatographic methods. The amino group introduces an additional functional handle that can affect hydrogen-bonding interactions and chemical shift distributions in NMR analysis.

Quinoline/quinolinium class context

Quinoline-based structures are characterised by a fused benzene–pyridine system. Quinolinium derivatives are typically formed when the ring nitrogen is quaternised, creating a permanently charged aromatic heterocycle. This quaternisation can increase aqueous interaction potential in mixed solvent systems and may influence ion-pairing or buffer-dependent retention profiles.

Functional group analysis

5-Amino-1MQ contains functional groups relevant to analytical chemistry:

  • Aromatic fused ring system (quinoline/quinolinium framework)
  • Quaternary ring nitrogen (permanent cation)
  • Amino substituent (-NH2)
  • Methyl substituent on ring nitrogen (N-CH3)

The aromatic system supports strong UV absorption, while the amino group can contribute to characteristic N–H vibrational signals in infrared spectroscopy. The quaternary nitrogen can influence fragmentation patterns in mass spectrometry and may affect chromatographic selectivity depending on method conditions.

Molecular architecture and electronic distribution

The molecular formula C10H11N3O corresponds to a compact aromatic scaffold with heteroatom substitution. The fused aromatic system supports π-electron delocalisation, while the quaternised nitrogen introduces an electron-deficient centre that alters electron density distribution across the ring system.

The amino substituent can contribute electron donation into the aromatic framework (resonance effects), which may influence UV absorption intensity and NMR chemical shifts for neighbouring aromatic positions.

Spectroscopic characteristics

NMR Spectroscopy: Proton NMR typically shows aromatic proton signals in the expected region for fused aromatic heterocycles, together with a distinct N-methyl signal. The amino group may present broad resonances depending on solvent and exchange conditions. Carbon-13 NMR resolves aromatic carbons and the methyl carbon linked to the quaternary nitrogen.

Infrared Spectroscopy: Aromatic C–H stretching and ring vibration bands are expected, along with N–H stretching signals associated with the amino group. Additional bands may be observed depending on counterion/salt form.

UV-Visible Spectroscopy: The conjugated aromatic heterocycle supports π→π* transitions, enabling UV detection in chromatographic systems equipped with UV or photodiode array detectors.

Chromatographic behaviour

5-Amino-1MQ may exhibit defined retention behaviour in reversed-phase systems, with method-dependent selectivity influenced by its cationic character. Mobile phase composition, ionic strength and pH/buffer selection can affect peak shape and retention time. Under controlled method conditions, reproducible retention and peak symmetry can be achieved.

Mass spectrometric analysis

Mass spectrometry supports confirmation of a molecular weight of 189.21 g/mol. Fragmentation pathways may include cleavage or rearrangement within the aromatic heterocycle and substituent-related fragment ions, assisting in identity verification during analytical workflows.

Solid-state characteristics

5-Amino-1MQ is typically supplied as a fine powder suitable for laboratory handling. Aromatic heterocyclic salts or related forms commonly show stable solid-state behaviour when stored under dry, dark conditions in sealed packaging.

Registry information and structural identifiers

  • Chemical name: 5-Amino-1MQ
  • CAS number: 42464-96-0
  • Molecular formula: C10H11N3O
  • Molecular weight: 189.21 g/mol
  • Physical form: Laboratory-grade powder

Digital structural encoding

International chemical databases encode 5-Amino-1MQ using canonical SMILES strings and InChI identifiers, supporting accurate digital representation and compatibility with laboratory information management systems (LIMS) and documentation workflows.

Material consistency and traceability

As a research-grade chemical reference material, 5-Amino-1MQ is supplied in sealed laboratory packaging to maintain integrity during transport and storage. Clear batch identification supports traceability and internal laboratory documentation.

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 procedures
  • Shelf life up to 24 months when stored correctly

 

Frequently asked technical questions

What is the CAS number of 5-Amino-1MQ?
The CAS number of 5-Amino-1MQ is 42464-96-0.

In which form is 5-Amino-1MQ supplied?
This product is supplied as a laboratory-grade powder in sealed laboratory packaging.

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

Is 5-Amino-1MQ available for shipment within the EU?
Yes. Orders are supplied through the Rexar webshop in sealed laboratory packaging.

Aromatic planarity and electronic delocalisation

The fused aromatic ring system supports π-electron delocalisation across the quinoline framework. Quaternisation of the ring nitrogen introduces a permanent positive charge, influencing electronic distribution and potentially altering observed chemical shifts and UV absorption characteristics compared with neutral quinoline analogues.

Hydrogen bonding potential

The amino group can participate as a hydrogen-bond donor and acceptor under appropriate conditions, which may influence solubility behaviour and interaction with chromatographic phases. In solid-state environments, intermolecular interactions involving the amino group may contribute to crystalline packing characteristics.

Method-development considerations

Due to cationic character, method development may involve evaluation of buffer composition and ionic strength to achieve optimal peak shape and reproducible retention. Ion-pairing strategies or alternative stationary phases may be considered in advanced workflows where selectivity among related heteroaromatic cations is required.

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. This compound is not intended to diagnose, treat, cure or prevent any disease.

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Especificaciones

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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