Trigonelline

Name: Trigonelline
Brand: Vaqora Chemicals
SKU: VQ-042690

About Trigonelline

Vaqora Chemicals supplies Trigonelline, a high-purity reference standard of Trigonelline registered under CAS number 535-83-1. Formula C7H7NO2, molecular weight 137.14 g/mol. Its systematic (IUPAC) name is 1-methylpyridin-1-ium-3-carboxylate. Common synonyms include Gynesine and N-Methylnicotinate.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

Laboratories use this Trigonelline standard for identity and assay testing, system suitability checks and method validation supporting ANDA and DMF filings. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Identification & assay
Method development & validation
QC reference material

Industries

Related to Trigonelline

View every impurity, metabolite and intermediate we list for Trigonelline.

Trigonelline impurities

Specifications & identifiers

Chemical identifiers
Product name	Trigonelline
Catalogue No.	VQ-042690
CAS Number	535-83-1
IUPAC name	1-methylpyridin-1-ium-3-carboxylate
Molecular formula	C₇H₇NO₂
Molecular weight	137.14 g/mol
Exact mass	137.0477
Grade	Reference Standard
HSN code	38229090
InChIKey	WWNNZCOKKKDOPX-UHFFFAOYSA-N
SMILES	C[N+]1=CC=CC(=C1)C(=O)[O-]
PubChem CID	5570

Physical properties
Physical form	Solid
LogP (XLogP3)	1.2
H-bond donors / acceptors	0 / 2
TPSA	44 Å²
Synonyms	Gynesine, N-Methylnicotinate, Caffearine, Coffearine, Trigonellin, Betain nicotinate, Coffearin, Betaine nicotinate, 1-Methylpyridinio-3-carboxylate, Caffearin, Nicotinic acid N-methylbetaine, Trigenelline

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H315Causes skin irritation
H319Causes serious eye irritation

Precautionary statements: P264, P264 + P265, P280, P302 + P352, P305 + P351 + P338, P321, P332 + P317, P337 + P317, P362 + P364

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Trigonelline?

The CAS Registry Number of Trigonelline is 535-83-1. It is also known as Gynesine, N-Methylnicotinate, Caffearine.

What is the molecular formula and molecular weight of Trigonelline?

Trigonelline has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 1-methylpyridin-1-ium-3-carboxylate.

What is Trigonelline used for?

Trigonelline is supplied as a characterised reference material related to Trigonelline. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of Trigonelline can I order?

We supply Trigonelline in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Trigonelline?

Yes. Every lot of Trigonelline is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Trigonelline be shipped internationally?

Yes. Trigonelline is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.