1-Methylpyridin-1-ium-3-carboxylate--hydrogen chloride (1/1)

Base Information

Chemical Name:1-Methylpyridin-1-ium-3-carboxylate--hydrogen chloride (1/1)
CAS No.:6138-41-6
Molecular Formula:C7H7NO2^.HCl
Molecular Weight:173.599
Hs Code.:29333990
DSSTox Substance ID:DTXSID30976921
ChEMBL ID:CHEMBL489961
Mol file:6138-41-6.mol

Synonyms:Prestwick_70;SCHEMBL468365;CHEMBL489961;DTXSID30976921;BDBM50480286;AC-34972;T1429;T-6500;1-Methylpyridin-1-ium-3-carboxylate--hydrogen chloride (1/1)

Suppliers and Price of 1-Methylpyridin-1-ium-3-carboxylate--hydrogen chloride (1/1)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Trigonelline Hydrochloride
1g
$ 247.00

TRC
TrigonellineChloride
100mg
$ 55.00

TCI Chemical
Trigonelline Hydrochloride >98.0%(HPLC)(T)
5g
$ 125.00

Sigma-Aldrich
Trigonelline hydrochloride analytical standard
1g
$ 35.70

Sigma-Aldrich
Trigonelline hydrochloride analytical standard
5g
$ 125.00

Sigma-Aldrich
Trigonelline hydrochloride analytical standard
100mg
$ 86.10

Sigma-Aldrich
Trigonelline hydrochloride analytical standard
10g
$ 239.00

Sigma-Aldrich
TRIGONELLINE HYDROCHLORIDE Aldrich
1g
$ 144.00

Medical Isotopes, Inc.
Trigonelline-d3Hydrochloride(N-methyl-d3)
100 mg
$ 550.00

DC Chemicals
Trigonelline hydrochloride >98%,StandardReferencesGrade
20 mg
$ 280.00

Total 80 raw suppliers

Chemical Property of 1-Methylpyridin-1-ium-3-carboxylate--hydrogen chloride (1/1)

Chemical Property:

Melting Point:~260 °C (dec.)
PSA：44.01000
LogP:-0.32340
Storage Temp.:Inert atmosphere,Room Temperature
Solubility.:Methanol (Slightly), Water
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:173.0243562
Heavy Atom Count:11
Complexity:130

Purity/Quality:

95%-98% ^*data from raw suppliers

Trigonelline Hydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 22-24/25-36-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C[N+]1=CC=CC(=C1)C(=O)[O-].Cl
Description Trigonelline hydrochloride (N-methylnicotinic acid betaine hydrochloride) is a betaine type pyrimidine alkaloid found in various seeds, including coffee beans. Trigonelline is synthesized from nicotinic acid in many plant species. It has been reported that trigonelline has diverse biological activities, such as hypoglycemic, hypolipidemic, neuroprotective, antimigraine, sedative, memory-improving, antibacterial, antiviral, and anti-tumor activities. (The product is for research purpose only.)
Uses Trigonelline (chloride) is an alkaloid found in plants and coffee. Trigonelline is a product of niacin metabolism that is excreted in urine.

Technology Process of 1-Methylpyridin-1-ium-3-carboxylate--hydrogen chloride (1/1)

There total 2 articles about 1-Methylpyridin-1-ium-3-carboxylate--hydrogen chloride (1/1) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 535-83-1
Trigonelline

: 6138-41-6
trigonelline hydrochloride

Guidance literature:: With hydrogenchloride; at 0 ℃;

Reference yield:

: 1005-24-9
1-methylnicotinamide chloride

: 6138-41-6
trigonelline hydrochloride

Guidance literature:: With sodium dihydrogenphosphate; phosphoric acid; at 60 ℃; Rate constant; var. pH and buffers or H₃PO₄;
DOI:10.1002/jps.2600820805