Trigonelline 535-83-1
1 Inquiries
535-83-1
shanghai
DRUM
2025-04-18
Agrochemicals,Daily Chemicals,Catalysts & Chemical Auxiliary Agents,Extract,Inorganic Chemicals,Organic Intermediate
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Product Description
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Seller Information
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Inquiry History
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DescriptionECHEMI Editorial ReferenceTrigonelline, an alkaloid with potential antidiabetic activity, is present in considerable amounts in coffee.
Solid
N-methylnicotinate is an iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group. It has a role as a plant metabolite, a food component and a human urinary metabolite. It is an iminium betaine and an alkaloid. It derives from a nicotinate. It is a conjugate base of a N-methylnicotinic acid.Basic Info-
Product Name:
Trigonelline
Other Name:Pyridinium,3-carboxy-1-methyl-,inner salt;Pyridinium,3-carboxy-1-methyl-,hydroxide,inner salt;Betaine nicotinate;Caffearine;Coffearine;Gynesine;Trigenolline;Trigonelline;Coffearin;N-Methylnicotinic acid;N-Methylnicotinate;1-Methylpyridin-1-ium-3-carboxylate
CAS No.:535-83-1
Molecular Formula:C7H7NO2
InChIKeys:InChIKey=WWNNZCOKKKDOPX-UHFFFAOYSA-N
Molecular Weight:137.13600
Exact Mass:137.04800
EC Number:208-620-5
UNII:3NQ9N60I00
NSC Number:714350
DSSTox ID:DTXSID2026230
Color/Form:Prisms, aqueous, from alcohol + water
HScode:29339900
Categories:
Characteristics-
PSA:
44.01000
XLogP3:-1.12540
Appearance:Solid
Density:1.2528 (rough estimate)
Melting Point:234-236 °C
Boiling Point:251.96°C (rough estimate)
Refractive Index:1.554
Water Solubility:In water, 1.0X10+6 mg/L at 25 deg C (est) /miscible/
Vapor Pressure:3.18X10-3 mm Hg at 25 deg C (est)
Henrys Law Constant:Henry's Law constant = 3.03X10-15 atm-cu m/mol at 25 °C (est)
Collision Cross Section:126.37 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]|139.87 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field]|124 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|135.9 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|122.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Experimental Properties:Crystals from ethanol, mp 230-233 °C. Salty taste. Very soluble in water; soluble in alcohol. Practically insoluble in ether, chloroform /Trigonelline monohydrate/|Crystals from 90% alcohol, mp 258-259 °C. Very soluble in water, slightly in alcohol. Practically insoluble in ether, benzene. /Trigonelline hydrochloride/|Hydroxyl radical reaction rate constant = 1.08X-11 cu cm/molec-sec at 25 °C (est)
Hazard IdentificationClassification of the substance or mixture
Eye irritation, Category 2
GHS label elements, including precautionary statements
Pictogram(s) 
Signal word Warning
Hazard statement(s) H319 Causes serious eye irritation
Precautionary statement(s) Prevention P264 Wash ... thoroughly after handling.
P280 Wear protective gloves/protective clothing/eye protection/face protection/hearing protection/...
Response P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage none
Disposal none
Other hazards which do not result in classification
no data available
Handling and StoragePrecautions for safe handling
Handling in a well ventilated place. Wear suitable protective clothing. Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Use non-sparking tools. Prevent fire caused by electrostatic discharge steam.
Conditions for safe storage, including any incompatibilities
Store the container tightly closed in a dry, cool and well-ventilated place. Store apart from foodstuff containers or incompatible materials.
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Seller Information
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Business Type:
Manufactory
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Main Products:
Agrochemicals,Daily Chemicals,Catalysts & Chemical Auxiliary Agents,Extract,Inorganic Chemicals,Organic Intermediate
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Location:
hisense intelligence valley,no 2116,of phoenix road
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Payment Terms:
TT against copy of documents,D/P,L/C
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Average lead Time:
7 days
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Total Annual Revenue:
Less than $1 million
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Total Employees:
11-50
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Year of Establishment:
2017
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Inquiry History1 Inquiries
Country Product Purchase Quantity Date Posted 
Thailand
Trigonelline / 1-Methylpyridinium-3-Carboxylate
2 KG Feb 7, 2025 Post an enquiry for this product
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