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N-Methylnicotinate

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N-Methylnicotinate / CAS : 535-83-1

Appearance White crystalline powder UN -
HS 29389090 DG Class -
Synonyms Betain Nicotinate; Coffearine; N-Methyl-3-Carboxypyridinium; 1-Methylpyridinium-3-Carbonate; Trigonellin; Trigenolline; Gynesis; Coffearin; 1-Methyl-3-Pyridinium Carboxylate; Trigonelline; Gynesine; Pyridinium, 3-Carboxy-1-Methyl-, Hydroxide, Inner Salt; Caffearine
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Properties

Summary

Formula
C7H7NO2
Molecular Mass
137.13600
Exact Mass
137.04800
PSA
44.01000
Logp
-1.12540
IUPAC
1-methylpyridin-1-ium-3-carboxylate
SMILES
C[N+]1=CC=CC(=C1)C(=O)[O-]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Plant and Other Extracts > Plant Extracts

Chemical and Physical Properties

Melting Point
260°C
Density
1.2528 g/cm3
Boiling Point
251.96°C
Appearance
White crystalline powder
Acidity and Basicity
reducibility

Export information

HS Code
29389090
Export Rebate
13%

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