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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 Trigonelline - 10mM in DMSO , CAS No.535-83-1
GRADE & PURITY 10mM in DMSO
Synonyms
1-Methylpyridinio-3-carboxylate | AS-17722 | N-Methylnicotinate | N-methyl-nicotinate | TRIGONELLINE (CONSTITUENT OF FENUGREEK SEED) [DSC] | Caffearin | HY-N0414 | 3-Carboxy-1-methylpyridinium hydroxide inner salt | 3-carboxy-1-methyl-Pyridinium hydroxide
Shipped In
Dry ice packs + Cold packs
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Why this grade 10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications 同義語
1-Methylpyridinio-3-carboxylate | AS-17722 | N-Methylnicotinate | N-methyl-nicotinate | TRIGONELLINE (CONSTITUENT OF FENUGREEK SEED) [DSC] | Caffearin | HY-N0414 | 3-Carboxy-1-methylpyridinium hydroxide inner salt | 3-carboxy-1-methyl-Pyridinium hydroxide
入荷
Dry ice packs + Cold packs
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
名前と識別子 カノニカル・スマイル
C[N+]1=CC=CC(=C1)C(=O)[O-]
IUPAC Name
1-methylpyridin-1-ium-3-carboxylate
InChIKey
WWNNZCOKKKDOPX-UHFFFAOYSA-N
INCHI
1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
異性体SMILES
C[N+]1=CC=CC(=C1)C(=O)[O-]
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Alkaloids and derivatives 分類 Not available Subclass Not available Intermediate Tree Nodes Not available Direct Parent Alkaloids and derivatives Alternative Parents Pyridinecarboxylic acids N-methylpyridinium compounds Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyridine carboxylic acid - Alkaloid or derivatives - Pyridine carboxylic acid or derivatives - N-methylpyridinium - Pyridinium - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound 説明 This compound belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. External Descriptors a small molecule Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 融点（°C） 214-220° C 分子量 137.140 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 137.048 Da Monoisotopic Mass 137.048 Da Topological Polar Surface Area 44.000 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 130.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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