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1-methylpyridinio-3-carboxylate

CAS 535-83-1C7H7NO2MW 137.14

1-methylpyridinio-3-carboxylate (CAS 535-83-1) — formula C7H7NO2, molecular weight 137.14; category organic chemicals.

Product Overview

CAS Number535-83-1
Molecular FormulaC7H7NO2
Molecular Weight137.14
LogP1.2
CategoryOrganic Chemicals

Technical Profile

What this product is

1-methylpyridinio-3-carboxylate is a carbon-based organic compound with CAS registry number 535-83-1 and molecular formula C7H7NO2 (molecular weight 137.14), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 535-83-1

Its molecular formula C7H7NO2 comprises 7 C, 7 H, 1 N, 2 O atoms.

Also known as: 1-methylpyridinio-3-carboxylate · 1-甲基吡啶基-3-羧酸酯

Category: organic chemicals

Frequently Asked Questions

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

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

What is the molecular formula and molecular weight of 1-methylpyridinio-3-carboxylate?

Molecular formula C7H7NO2, molecular weight 137.14.

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

It is also registered under: 1-methylpyridinio-3-carboxylate, 1-甲基吡啶基-3-羧酸酯.

Which category does 1-methylpyridinio-3-carboxylate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 1-methylpyridinio-3-carboxylate (CAS 535-83-1), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number535-83-1
PubChem CID5570
Molecular formulaC7H7NO2
IUPAC name1-methylpyridin-1-ium-3-carboxylate
UNII (FDA)3NQ9N60I00

Computed descriptors

Molecular Weight137.14
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass137.047678466
Monoisotopic Mass137.047678466
Topological Polar Surface Area44
Heavy Atom Count10

Documented uses on record

    Plant seeds, coffee beans, synthetically by heating nicotinic acid with methyl iodide and treatment with silver oxidePyridinium, 3-carboxy-1-methyl-, inner salt: ACTIVE

    Synonyms and trade names

    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

    Regulatory listings held on file

    GHS notification summary33.3% (1 / 3)

    GHS hazard classification

    GHS notification summary33.3% (1 / 3)
    Reported hazard statementsH315 (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]

    What the public record says

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

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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中文页面: 1-甲基吡啶基-3-羧酸酯

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