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Merck
CN

61407

Trigonelline hydrochloride

analytical standard

Synonym(s):

1-Methylpyridinium-3-carboxylate hydrochloride, N-Methylnicotinic acid betaine hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C7H7NO2 · HCl
CAS Number:
6138-41-6
Molecular Weight:
173.60
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329759478
EC Number:
228-119-5
Beilstein/REAXYS Number:
3734169
MDL number:
MFCD00077250

Key Documents

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Product Name

Trigonelline hydrochloride, analytical standard

InChI

1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H

InChI key

TZSYLWAXZMNUJB-UHFFFAOYSA-N

SMILES string

[Cl-].C[n+]1cccc(c1)C(O)=O

grade

analytical standard

assay

≥98.5% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

impurities

≤1.0% water

application(s)

food and beverages

format

neat

Quality Level

100

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

涉药品监管产品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN5533
BCCL8280
BCCK2968
BCCF6172
BCBZ9185

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Joanna Makowska et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 968, 101-104 (2014-01-01)
For trigonelline, a quaternary-base pyridine alkaloid of presumed Alzheimer's disease-preventing activity, a method of determination has been proposed, based on the hydrophilic interaction chromatography (HILIC). That method might be applied to study the agent's bioavailability, in particular its permeation through
Kouichi Mizuno et al.
Biochemical and biophysical research communications, 452(4), 1060-1066 (2014-09-23)
Trigonelline (N-methylnicotinate), a member of the pyridine alkaloids, accumulates in coffee beans along with caffeine. The biosynthetic pathway of trigonelline is not fully elucidated. While it is quite likely that the production of trigonelline from nicotinate is catalyzed by N-methyltransferase

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