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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole , CAS No.147402-53-7
Synonyms
Abt-418 | Abt 418 | 3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole | Isoxazole, 3-methyl-5-((2S)-1-methyl-2-pyrrolidinyl)- | B9I6MZL7BW | (S)-3-methyl-5-(1-methylpyrrolidin-2-yl)isoxazole | 3-Methyl-5-(1-methyl-2(S)-pyrrolidinyl)isoxazole | 3-methyl-5-[(2S
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
Abt-418 | Abt 418 | 3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole | Isoxazole, 3-methyl-5-((2S)-1-methyl-2-pyrrolidinyl)- | B9I6MZL7BW | (S)-3-methyl-5-(1-methylpyrrolidin-2-yl)isoxazole | 3-Methyl-5-(1-methyl-2(S)-pyrrolidinyl)isoxazole | 3-methyl-5-[(2S
Product Properties Names and Identifiers Canonical Smiles CC1=NOC(=C1)C2CCCN2C IUPAC Name 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole InChIKey ILLGYRJAYAAAEW-QMMMGPOBSA-N INCHI 1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1 Isomeric SMILES CC1=NOC(=C1)[C@@H]2CCCN2C PubChem CID 119380 Molecular Weight 166.22
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 Organic nitrogen compounds Class Organonitrogen compounds Subclass Amines Intermediate Tree Nodes Not available Direct Parent Aralkylamines Alternative Parents N-alkylpyrrolidines Isoxazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Aralkylamine - N-alkylpyrrolidine - Azole - Isoxazole - Pyrrolidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 166.220 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 166.111 Da Monoisotopic Mass 166.111 Da Topological Polar Surface Area 29.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 163.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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