Trigonelline - 10mM in DMSO , CAS No.535-83-1

CAS: 535-83-1 Cat. No.: T424578 Fórmula: C7H7NO2 Peso molecular: 137.14 Número CE: 208-620-5 PubChem CID: 5570
Disponível para encomenda
GRADE & PURITY 10mM in DMSO
Synonyms
1-Methylpyridinio-3-carboxylate | AS-17722 | N-Methylnicotinate | N-methyl-nicotinate | TRIGONELLINE (CONSTITUENT OF FENUGREEK SEED) [DSC] | Caffearin | HY-N0414 | 3-Carboxy-1-methylpyridinium hydroxide inner salt | 3-carboxy-1-methyl-Pyridinium hydroxide
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Alemanha (EU)
USA*
Price
Qty
1ml
T424578-1ml
Sob encomenda · 8–12 semanas
43,30€
Enter a quantity for the sizes you want to add.
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
1-Methylpyridinio-3-carboxylate | AS-17722 | N-Methylnicotinate | N-methyl-nicotinate | TRIGONELLINE (CONSTITUENT OF FENUGREEK SEED) [DSC] | Caffearin | HY-N0414 | 3-Carboxy-1-methylpyridinium hydroxide inner salt | 3-carboxy-1-methyl-Pyridinium hydroxide
Especificações e pureza
10mM in DMSO
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Nomes e identificadores
Pubchem Sid
Sorrisos canónicos
C[N+]1=CC=CC(=C1)C(=O)[O-]
IUPAC Name
1-methylpyridin-1-ium-3-carboxylate
InChIKey
WWNNZCOKKKDOPX-UHFFFAOYSA-N
INCHI
1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
SMILES isoméricas
C[N+]1=CC=CC(=C1)C(=O)[O-]
PubChem CID
5570
Peso molecular
137.14

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassAlkaloids and derivatives
ClasseNot available
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAlkaloids and derivatives
Alternative Parents Pyridinecarboxylic acids  N-methylpyridinium compounds  Pyridinium derivatives  Vinylogous amides  Heteroaromatic compounds  Carboxylic acid salts  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic salts  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyridine carboxylic acid - Alkaloid or derivatives - Pyridine carboxylic acid or derivatives - N-methylpyridinium - Pyridinium - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
External Descriptors a small molecule
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-N-SH (1499 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Ponto de fusão (°C)214-220° C
Peso molecular137.140 g/mol
XLogP31.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass137.048 Da
Monoisotopic Mass137.048 Da
Topological Polar Surface Area44.000 Ų
Heavy Atom Count10
Formal Charge0
Complexity130.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
FAQs e artigos
Citations of This Product
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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