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AG003V2L

6138-41-6 | Trigonelline HCl

AG003V2L

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CAS Number	6138-41-6
Catalog Number	AG003V2L(AGN-PC-0JMNVG)
Chemical Name	Trigonelline HCl
EC Number	228-119-5
IUPAC Name	1-methylpyridin-1-ium-3-carboxylic acid;chloride
InChI	InChI=1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H
InChI Key	TZSYLWAXZMNUJB-UHFFFAOYSA-N
MDL Number	MFCD00077250
Molecular Formula	C7H8ClNO2
Molecular Weight	173.5969
NSC Number	66510
SMILES	[Cl-].C(=O)(O)C=1C=[N+](C=CC1)C
UNII	89A86B74I9
Synonyms	trigonelline, trigonelline chloride, trigonelline iodide, trigonelline ion, trigonelline tosylate, Trigonelline hydrochloride, 6138-41-6, trigonelline chloride, 3-Carboxy-1-methylpyridinium chloride, N-Methylnicotinic acid chloride, UNII-89A86B74I9, Trigonelline-Hydrochloride, N-Methyl-3-carboxypyridinium chloride, Pyridinium, 3-carboxy-1-methyl-, chloride, 89A86B74I9, trigonelline HCl, 1-methylpyridine-3-carboxylic acid, chloride, MFCD00077250, Trigonelline hydrochloride, analytical standard, Trigonelline, chloride, EINECS 228-119-5, NSC 66510, Gynesine Hydrochloride, Coffearine Hydrochloride, AC1Q1SGO, 6138-40-5, C7H8NO2.Cl, MLS002695953, AC1L34W4, CTK8B2913, HY-N0415, NSC66510, 7814AH, ANW-41309, CT-488, NSC-66510, SBB000182, AKOS005067858, CS-8097, MCULE-3607042354, AK554028, SMR001562117, ST023511, Nicotinic acid N-methylbetaine Hydrochloride, TR-021155, FT-0615284, N2577, Trigonelline hydrochloride, >=98.0% (AT), A14814, N-(1/4)x>>uNIEaIeth(2)E(1/4)i NIEaNI, Pyridinium,3-carboxy-1-methyl-,hydroxide(1:1), 1-methylpyridin-1-ium-3-carboxylic acid chloride, C-05778, 1-(1/4)x>>ussAa currency-3-(1/4)xEaAUNI NIEaNI, I14-94303, Pyridinium, 3-carboxy-1-methyl-, chloride (8CI)(9CI), Trigonelline, Pyridinium, chloride, 1-methylpyridinium-3-carboxylate, C7-H8-N-O2.Cl, AR-1F2425, CID134606, ACN-046963, Trigonelline hydrochloride, 99% - 1G 1g, Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt, monohydrate, 6275-81-6,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.024g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.596g/mol
Monoisotopic Mass	173.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

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CERTIFICATE OF ANALYSIS

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited