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· · COA & SDS available for every product · Same-day shipping on in-stock items 1S,2R-milnacipran , CAS No.S668792
Synonyms
1S,2R-milnacipran | BDBM50275771 | NCGC00165825-02 | PD179647
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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
1S, 2R-milnacipran | BDBM50275771 | NCGC00165825-02 | PD179647
Product Properties Names and Identifiers Canonical Smiles CCN(CC)C(=O)C1(CC1CN)C2=CC=CC=C2 IUPAC Name (1R,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide InChIKey GJJFMKBJSRMPLA-ZFWWWQNUSA-N INCHI 1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1 Isomeric SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)C2=CC=CC=C2 Molecular Weight 246.35 Reaxy-Rn 11614305 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11614305&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 Class Benzene and substituted derivatives Subclass Phenylacetamides Intermediate Tree Nodes Not available Direct Parent Phenylacetamides Alternative Parents Aralkylamines Cyclopropanecarboxylic acids and derivatives Tertiary carboxylic acid amides Amino acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylacetamide - Aralkylamine - Cyclopropanecarboxylic acid or derivatives - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. 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 246.350 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 5 Exact Mass 246.173 Da Monoisotopic Mass 246.173 Da Topological Polar Surface Area 46.300 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 295.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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