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Lemairamin (WGX-50) - CAS 56361-03-6

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Lemairamin (WGX-50) | Molecular formula: C19H21NO3 | Molecular weight: 311.4 g/mol.

Product information

Lemairamin (WGX-50) – CAS 56361-03-6

Lemairamin (WGX-50) is supplied by Rexar as a research-grade chemical reference material for analytical chemistry, compound identification and laboratory comparison workflows. Chemically identified as (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide, this aromatic amide compound combines two phenyl-derived aromatic regions with a conjugated propenamide system and methoxy substitution and is provided exclusively for controlled research environments requiring verified chemical identity, consistent structural documentation and reproducible analytical comparison.

Research-grade material distributed by Rexar within the European Union.

Lemairamin (WGX-50) (CAS 56361-03-6) is supplied in sealed laboratory packaging to support traceability, storage integrity and laboratory handling procedures.

Rexar Technical Compound Datasheet (PDF)

Safety Data Sheet (SDS)

Additional public reference

Molecular structure data and selected physicochemical properties can be consulted via: Lemairamin (WGX-50) on PubChem

Comprehensive structural overview

Lemairamin (WGX-50) is an aromatic organic compound with the molecular formula C19H21NO3. Its molecular architecture contains two aromatic ring regions connected through an ethyl-linked amide and conjugated propenamide framework.

The structure contains one nitrogen atom and three oxygen atoms distributed between the amide functionality and two methoxy substituents. The aromatic rings, conjugated carbon-carbon double bond, amide region and methoxy groups provide distinctive structural features suitable for chromatographic, mass-spectrometric and spectroscopic characterisation.

Aromatic ring architecture

A defining structural feature of Lemairamin is the presence of two phenyl-derived aromatic regions. One aromatic ring forms part of the phenylpropenamide segment, while the second contains adjacent methoxy substituents.

These aromatic regions create multiple conjugated proton and carbon environments and provide structural markers that may support comparative analytical identification.

Conjugated propenamide architecture

Lemairamin contains a conjugated carbon-carbon double bond positioned adjacent to an amide carbonyl group. This unsaturated propenamide region forms an electronically connected structural segment between the phenyl ring and the amide functionality.

The conjugated arrangement may influence ultraviolet absorbance, chromatographic behaviour and spectroscopic response and provides a useful structural signature for analytical comparison.

Functional group composition

The molecular formula C19H21NO3 reflects a structure containing carbon, hydrogen, nitrogen and oxygen distributed across several chemically distinct structural regions.

  • Two aromatic phenyl-derived ring systems
  • One amide functionality
  • One carbonyl oxygen atom
  • One amide nitrogen atom
  • Two methoxy substituents
  • One conjugated carbon-carbon double bond
  • One short ethyl linker

The combination of aromatic, unsaturated, amide and ether-containing structural elements provides multiple analytical markers for comparative compound identification.

Amide functionality

Lemairamin contains a secondary amide group connecting the conjugated propenyl region to an ethyl-substituted aromatic segment. This functionality includes one carbonyl group and one nitrogen atom and contributes significantly to the local polarity of the molecule.

The amide carbonyl may provide a characteristic infrared absorption feature and a distinguishable carbon resonance during carbon NMR analysis, while the amide nitrogen may participate in hydrogen-bonding interactions.

Methoxy substituent architecture

Two methoxy groups are attached to one of the aromatic rings in the Lemairamin structure. These oxygen-containing substituents introduce localised polarity while retaining an aromatic molecular environment.

The methoxy groups may provide characteristic proton and carbon resonances during NMR analysis and contribute to distinguishable chromatographic and spectroscopic behaviour.

Conjugated double-bond region

The molecule contains a carbon-carbon double bond within the phenylpropenamide portion of the structure. This unsaturated region is conjugated with both the aromatic ring and the amide carbonyl system.

The defined (E)-configuration provides a structural descriptor that distinguishes Lemairamin from alternative geometric isomers and may produce characteristic spectroscopic signals.

Ethyl linker characteristics

A short ethyl linker connects the methoxy-substituted aromatic ring to the amide nitrogen. This aliphatic region introduces conformational flexibility between the aromatic system and the amide functionality.

The methylene environments within this linker may provide distinguishable proton and carbon NMR resonances and contribute to the overall molecular conformation.

Hydrogen bonding and intermolecular interactions

Lemairamin contains an amide functionality capable of participating in intermolecular hydrogen-bonding interactions under analytical and solid-state conditions.

The carbonyl oxygen can act as a hydrogen-bond acceptor, while the amide-associated hydrogen may function as a hydrogen-bond donor. The methoxy oxygen atoms may also contribute to acceptor-type intermolecular interactions.

Molecular polarity and aromatic balance

The molecule combines two relatively hydrophobic aromatic regions with a polar amide functionality and two methoxy groups. This produces a mixed structural character involving extensive aromatic surface area together with localised polar functionalities.

This balance is relevant when evaluating solvent selection, sample preparation and reversed-phase chromatographic conditions.

Conformational characteristics

The aromatic ring systems and conjugated propenamide segment provide relatively rigid structural regions, while the ethyl linker introduces limited conformational flexibility between the methoxy-substituted aromatic ring and the amide nitrogen.

The carbon-carbon double bond is represented in the (E)-configuration, while no tetrahedral stereogenic centre is present in the standard molecular representation.

Chromatographic behaviour

Under reversed-phase liquid chromatographic conditions, retention may be influenced by the two aromatic ring systems, the amide functionality, methoxy substituents, conjugated double bond and overall balance between hydrophobic and polar structural regions.

Retention time and peak shape may vary according to mobile-phase composition, gradient conditions, stationary-phase chemistry, temperature and sample concentration.

Liquid chromatography considerations

LC-based methods may be used for qualitative identity comparison, purity profiling and retention-time verification of Lemairamin reference material.

The combination of extensive aromatic character with polar amide and methoxy functionalities may require optimisation of mobile-phase composition and stationary-phase chemistry to obtain suitable retention and peak symmetry.

Mass spectrometric considerations

With a molecular weight of approximately 311.4 g/mol, Lemairamin falls within a mass range suitable for routine LC-MS analysis. Appropriate ionisation techniques may support detection of protonated, deprotonated or adducted molecular species depending on solvent composition, mobile-phase conditions and instrument parameters.

Fragmentation may involve the methoxy-substituted aromatic region, the ethyl linker, the amide functionality or the conjugated phenylpropenyl segment and may support structural confirmation when compared with authenticated reference data.

NMR spectroscopic considerations

Proton NMR analysis may show characteristic resonances associated with both aromatic ring systems, the conjugated alkene protons, the methoxy groups and the aliphatic methylene units.

Carbon NMR analysis may provide distinguishable signals corresponding to aromatic carbons, alkene carbons, methoxy carbons, linker carbons and the amide carbonyl carbon.

Infrared spectroscopic considerations

Infrared analysis may reveal characteristic absorption features associated with the amide carbonyl, N-H environment, aromatic C-H bonds, aliphatic C-H bonds and ether-type C-O functionalities.

The amide carbonyl may provide a prominent absorption feature that can assist structural comparison when evaluated against an authenticated reference spectrum.

Ultraviolet detection considerations

The conjugated aromatic and alkene-containing molecular framework of Lemairamin may support ultraviolet-based chromatographic detection. Suitable detection wavelengths should be selected according to measured absorbance characteristics and validated laboratory methods.

The two aromatic rings and conjugated propenamide region are expected to contribute substantially to the electronic absorption profile of the compound.

Conjugated chromophore considerations

The phenylpropenamide region forms an extended conjugated structural element within Lemairamin. This region may contribute to characteristic ultraviolet absorbance and spectroscopic behaviour under appropriate analytical conditions.

Combined with the second methoxy-substituted aromatic ring, this conjugated architecture provides several optical and structural markers for comparative analytical identification.

Solid-state considerations

Lemairamin is supplied as a laboratory powder. Solid-state characteristics such as crystallinity, particle morphology, residual moisture and residual solvent content may depend on manufacturing and purification procedures.

Analytical laboratories may use melting behaviour, powder analysis or spectroscopic comparison as supplementary identity indicators where appropriate.

Chemical identity and registry metadata

  • Product name: Lemairamin (WGX-50)
  • Chemical name: (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide
  • CAS number: 56361-03-6
  • PubChem CID: 1376042
  • Molecular formula: C19H21NO3
  • Molecular weight: 311.4 g/mol
  • Material form: Laboratory powder

Analytical laboratory applications

Lemairamin may serve as a qualitative reference compound in structural verification and comparative analytical workflows involving LC-MS, HPLC, NMR and infrared spectroscopy. Laboratory procedures may include retention-time comparison, molecular-weight confirmation and comparative spectral profiling.

  • LC-MS molecular-weight verification
  • HPLC retention-time comparison
  • NMR structural analysis
  • Infrared functional-group confirmation
  • Comparative profiling of aromatic amide compounds
  • Analytical method development and validation support

Structural classification

Lemairamin can be structurally classified as an aromatic cinnamamide-type compound containing two phenyl-derived aromatic regions, a conjugated propenamide segment and two methoxy substituents.

Its molecular framework provides a distinct aromatic-amide architecture for comparative analytical workflows involving related cinnamamide, phenethylamide and methoxy-substituted reference materials.

Aromatic substitution pattern

One aromatic ring in Lemairamin carries adjacent methoxy substituents, while the second aromatic ring forms part of the conjugated phenylpropenamide region.

This asymmetric substitution pattern provides distinguishable proton and carbon environments that may support structural verification through NMR and chromatographic comparison.

Unsaturated amide architecture

The molecular structure contains an unsaturated amide region in which a carbon-carbon double bond is conjugated with both an aromatic ring and the amide carbonyl functionality.

This arrangement creates a rigid electronic pathway that may influence ultraviolet absorption, ionisation response and fragmentation behaviour.

Heteroatom environments

The Lemairamin structure contains one nitrogen atom and three oxygen atoms occupying chemically distinct environments. The nitrogen is incorporated within the amide group, while the oxygen atoms are distributed between the amide carbonyl and two methoxy substituents.

These heteroatom environments contribute to molecular polarity, hydrogen-bonding capability and spectroscopic characteristics.

Carbonyl environment characteristics

Lemairamin contains one carbonyl functionality within the amide region. This carbonyl environment contributes to molecular polarity and provides a distinct spectroscopic marker.

The carbonyl carbon may provide a characteristic carbon NMR resonance, while its vibrational behaviour may produce a prominent infrared absorption feature.

Ionisation behaviour

The amide functionality, methoxy oxygen atoms and conjugated aromatic system may influence ionisation behaviour under different analytical conditions.

Mobile-phase composition, solvent system and ionisation parameters can therefore affect mass-spectrometric response and chromatographic behaviour.

Elemental composition distribution

The molecular formula C19H21NO3 contains one nitrogen atom within the amide functionality and three oxygen atoms distributed between one carbonyl group and two methoxy substituents.

Theoretical elemental composition may support identity verification when combined with mass spectrometry and spectroscopic analysis.

Reference positioning in analytical workflows

As a chemical reference material, Lemairamin may be used for qualitative structural comparison, method development and analytical identity verification in laboratories examining aromatic amides, cinnamamide-type compounds, methoxy-substituted aromatics or related reference materials.

Analytical reproducibility depends on consistent sample preparation, validated instrument parameters, suitable reference documentation and controlled storage conditions.

Material consistency and traceability

Each unit is supplied in sealed laboratory packaging designed to support material integrity during storage and transport. Batch identification labelling supports traceability and internal documentation within controlled research environments.

Packaging should remain closed when the material is not in use and should be protected from moisture, excessive heat and direct light.

Handling and storage conditions

  • Storage: Store in a cool, dry and light-protected environment in a tightly closed container.
  • Handling: Handle according to standard laboratory safety procedures and the accompanying safety documentation.
  • Personal protection: Use appropriate laboratory gloves, protective clothing and eye protection.
  • Moisture protection: Minimise unnecessary exposure to air and humidity.
  • Long-term storage: Follow the conditions stated in the product documentation and applicable laboratory procedures.

 

Frequently asked technical questions

What is the CAS number of Lemairamin (WGX-50)?
The CAS number is 56361-03-6.

What is the PubChem CID of Lemairamin?
The PubChem compound identifier is 1376042.

What is the molecular formula of Lemairamin?
The molecular formula is C19H21NO3.

What is the molecular weight of Lemairamin?
The molecular weight is approximately 311.4 g/mol.

What is the chemical name of Lemairamin?
The chemical name is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide.

What structural class does Lemairamin belong to?
Lemairamin is an aromatic amide compound containing a conjugated phenylpropenamide region and a methoxy-substituted phenethyl group.

How many nitrogen atoms does Lemairamin contain?
The molecular structure contains one nitrogen atom.

How many oxygen atoms does Lemairamin contain?
The molecular structure contains three oxygen atoms.

In which form is Lemairamin supplied?
It is supplied as a laboratory powder in sealed packaging.

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

Disclaimer:
This product is supplied exclusively as a chemical reference material for laboratory and analytical purposes. Not for human or animal consumption. Not intended for food, supplement, cosmetic, medical, diagnostic or therapeutic use.

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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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