1-methylpyridinio-3-carboxylate

Name: 1-methylpyridinio-3-carboxylate
Brand: Jinan Shenghe Chemical Co., Ltd.

CAS 535-83-1C7H7NO2MW 137.14

1-methylpyridinio-3-carboxylate (CAS No. 535-83-1) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Organic Chemicals. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.

Specifications

CAS Number535-83-1

Molecular FormulaC7H7NO2

Molecular Weight137.14

LogP1.2

Purity按批次COA提供(不公开发布)

Packaging按订单/批次确认(不公开发布)

ApplicationsOrganic Chemicals

CategoryOrganic Chemicals

Where it is used

Organic Chemicals

Packaging & Supply

Packaging按订单/批次确认(不公开发布)

Purity按批次COA提供(不公开发布)

StorageSealed, cool and dry place

Lead TimeIn stock / per order

Documents & Support

COA provided with every batch; MSDS and technical documents available on request. Email us with product name and CAS number for a quote within one business day.

Frequently Asked Questions

What is the CAS number of 1-methylpyridinio-3-carboxylate?

The CAS number of 1-methylpyridinio-3-carboxylate is 535-83-1.

What purity and packaging are available?

Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.

What are the applications of 1-methylpyridinio-3-carboxylate?

Main applications include Organic Chemicals.

How do I buy 1-methylpyridinio-3-carboxylate or get a quote?

Email info@591daili.com or reach us on WhatsApp with the product name, CAS number and required quantity; quotes within one business day. Supplier: Jinan Shenghe Chemical Co., Ltd..

PubChem Public Data

Description

1-methylpyridinio-3-carboxylate · CAS 535-83-1 · C7H7NO2. UNII 3NQ9N60I00.

Identification

CAS Registry Number	535-83-1
PubChem CID	5570
Molecular formula	C7H7NO2
IUPAC name	1-methylpyridin-1-ium-3-carboxylate
UNII (FDA)	3NQ9N60I00

Computed Descriptors

Molecular Weight	137.14
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	137.047678466
Monoisotopic Mass	137.047678466
Topological Polar Surface Area	44
Heavy Atom Count	10
Formal Charge	0

Physical description & handling notes

Solid
Prisms, aqueous, from alcohol + water
Colorless prisms. MP: 218 °C (decomposes). Very soluble in water. Soluble in alcohol; nearly insoluble in ether, benzene, and chloroform /Trigonelline anhydrous/
When heated to decomposition it emits toxic vapors of /nitrogen oxides/.
139.87 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]
126.37 Å² [M+H]+ [CCS Type: DT; Method: stepped-field]

Regulatory Status

GHS notification summary	33.3% (1 / 3)

GHS Hazard Classification

GHS notification summary	33.3% (1 / 3)
Reported hazard statements	H315 (33.3%), H319 (66.7%)

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

Documented Uses

Plant seeds, coffee beans, synthetically by heating nicotinic acid with methyl iodide and treatment with silver oxide
Pyridinium, 3-carboxy-1-methyl-, inner salt: ACTIVE
/Has/ phytotoxic and growth regulatory properties. ... Trigonelline, a betaine derivative of nicotinic acid, arrests cell division at the G2 phase after DNA transcription. ... It has some selectivity towards legumes, arresting cell division in root tips of several leguminous species, while having no measurable effect on wheat or common sunflower ...
... The concentration-time curves of trigonelline in rabbits after ... iv administration were shown to fit one-compartment and two-compartment open model, respectively. The main parameters after iv /administration/ of trigonelline were as follows: T1/2 alpha was 10.8 min, T1/2 beta was 44.0 min, K21 was 0.044 min-1, K10 was 0.026 min-1, K12 was 0.017 min-1, AUC was 931.0 mg.min/L . /It was concluded that/ trigonelline showed a middle rate of absorption and fast rate of elimination in rabbit...
... Trigonelline (N-methylnicotinic acid) /is a metabolite of nicotinamide/.

Synonyms

Trigonelline; 535-83-1; Gynesine; N-Methylnicotinate; Caffearine; Coffearine; Trigonellin; 1-methylpyridin-1-ium-3-carboxylate; Betain nicotinate; Coffearin; Betaine nicotinate; 1-Methylpyridinio-3-carboxylate; Caffearin; Nicotinic acid N-methylbetaine; Trigenelline; 3-Carboxy-1-methylpyridinium hydroxide inner salt

Frequently Asked Questions

What are the CAS number and molecular formula of 1-methylpyridinio-3-carboxylate?

CAS 535-83-1; molecular formula C7H7NO2; molecular weight — g/mol.

What other names is 1-methylpyridinio-3-carboxylate known by?

Trigonelline, 535-83-1, Gynesine, N-Methylnicotinate, Caffearine, Coffearine.

Is 1-methylpyridinio-3-carboxylate classified as hazardous?

33.3% of GHS notifications report no hazard classification (1 of 3).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.

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