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· · COA & SDS available for every product · Same-day shipping on in-stock items (±)-Cotinine-(methyl-d₃) - ≥98%(CP),≥99 atom% D , CAS No.110952-70-0
Synonyms
5-pyridin-3-yl-1-(trideuteriomethyl)pyrrolidin-2-one | (+/-)-Cotinine-d3 (N-methyl-d3) | (Rac)-Cotinine-d3 | 1-Methyl-d3-5-(3-pyridyl)pyrrolidin-2-one | rac-Cotinine-D3 1.0 mg/ml in Methanol | 1-(?H?)methyl-5-(pyridin-3-yl)pyrrolidin-2-one | Discontinued,
Storage
Store at 2-8°C,Protected from light,Argon charged
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Why this grade ≥98%(CP),≥99 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
5-pyridin-3-yl-1-(trideuteriomethyl)pyrrolidin-2-one | (+/-)-Cotinine-d3 (N-methyl-d3) | (Rac)-Cotinine-d3 | 1-Methyl-d3-5-(3-pyridyl)pyrrolidin-2-one | rac-Cotinine-D3 1.0 mg/ml in Methanol | 1-(?H?)methyl-5-(pyridin-3-yl)pyrrolidin-2-one | Discontinued,
Specifications & Purity
≥98%(CP), ≥99 atom% D
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%(CP), ≥99 atom% D
Names and Identifiers Canonical Smiles [2H]C([2H])([2H])N1C(CCC1=O)c2cccnc2 IUPAC Name 5-pyridin-3-yl-1-(trideuteriomethyl)pyrrolidin-2-one InChIKey UIKROCXWUNQSPJ-FIBGUPNXSA-N INCHI 1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/i1D3 Isomeric SMILES [2H]C([2H])([2H])N1C(CCC1=O)C2=CN=CC=C2 WGK Germany 3 Alternate CAS 15569-85-4（Unlabeled） Molecular Weight 179.23 Reaxy-Rn 141449 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141449&ln=
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 Organoheterocyclic compounds Class Pyridines and derivatives Subclass Pyrrolidinylpyridines Intermediate Tree Nodes Not available Direct Parent Pyrrolidinylpyridines Alternative Parents Alkaloids and derivatives Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyrrolidinylpyridine - Alkaloid or derivatives - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyrrolidinylpyridines. These are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring. External Descriptors Not available 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Moisture and light sensitive Melt Point(°C) 40-42 °C Molecular Weight 179.230 g/mol XLogP3 -0.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 179.114 Da Monoisotopic Mass 179.114 Da Topological Polar Surface Area 33.200 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 205.000 Isotope Atom Count 3 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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