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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items (2-Amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1,4'-bipiperidin)-1'-yl)methanone , CAS No.331765-50-5
Synonyms
SCH-211803 | 61GSP3D46U | UNII-61GSP3D46U | (2-Amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1,4'-bipiperidin)-1'-yl)methanone | Methanone, (2-amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1,4'-bipiperidin)-1'
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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 Sinónimos
SCH-211803 | 61GSP3D46U | UNII-61GSP3D46U | (2-Amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1, 4'-bipiperidin)-1'-yl)methanone | Methanone, (2-amino-3-methylphenyl)(4-((4-((3-chlorophenyl)sulfonyl)phenyl)methyl)(1, 4'-bipiperidin)-1'
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas CC1=C(C(=CC=C1)C(=O)N2CCC(CC2)N3CCC(CC3)CC4=CC=C(C=C4)S(=O)(=O)C5=CC(=CC=C5)Cl)N IUPAC Name (2-amino-3-methylphenyl)-[4-[4-[[4-(3-chlorophenyl)sulfonylphenyl]methyl]piperidin-1-yl]piperidin-1-yl]methanone InChIKey VMJKUCKTXMESQR-UHFFFAOYSA-N INCHI 1S/C31H36ClN3O3S/c1-22-4-2-7-29(30(22)33)31(36)35-18-14-26(15-19-35)34-16-12-24(13-17-34)20-23-8-10-27(11-9-23)39(37,38)28-6-3-5-25(32)21-28/h2-11,21,24,26H,12-20,33H2,1H3 Isómeros SMILES CC1=C(C(=CC=C1)C(=O)N2CCC(CC2)N3CCC(CC3)CC4=CC=C(C=C4)S(=O)(=O)C5=CC(=CC=C5)Cl)N Peso molecular 566.2 Reaxy-Rn 9742390 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9742390&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 Benzenoids Clase Benzene and substituted derivatives Subclass Benzoyl derivatives Intermediate Tree Nodes Not available Direct Parent 1-benzoylpiperidines Alternative Parents N-benzoylpiperidines 4-benzylpiperidines N,N-dialkyl-m-toluamides 2-aminobenzamides Anthranilamides Benzenesulfonyl compounds Aminotoluenes Aniline and substituted anilines Aminopiperidines Aralkylamines Chlorobenzenes Aryl chlorides Sulfones Tertiary carboxylic acid amides Vinylogous amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organooxygen compounds Primary amines Hydrocarbon derivatives Organochlorides Organic oxides Molecular Framework Aromatic heteromonocyclic compounds Substituents N-benzoylpiperidine - 1-benzoylpiperidine - Benzylpiperidine - 4-benzylpiperidine - N,n-dialkyl-m-toluamide - Aminobenzamide - Anthranilamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - Benzamide - Benzenesulfonyl group - N-acyl-piperidine - Benzoic acid or derivatives - Toluamide - M-toluamide - Aminotoluene - Aniline or substituted anilines - 4-aminopiperidine - Chlorobenzene - Halobenzene - Aralkylamine - Toluene - Piperidine - Aryl chloride - Aryl halide - Sulfonyl - Sulfone - Vinylogous amide - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Primary amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 566.200 g/mol XLogP3 6.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 6 Exact Mass 565.217 Da Monoisotopic Mass 565.217 Da Topological Polar Surface Area 92.100 Ų Heavy Atom Count 39 Formal Charge 0 Complexity 903.000 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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