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· · COA & SDS available for every product · Same-day shipping on in-stock items N-[(11bS)-4,5-Dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepin-2-yl]trifluoromethanesulfonamide - ≥90%(HPLC) , CAS No.871915-77-4
Synonyms
MFCD30475651 | WJB91577 | D90317 | N-[(11bS)-4,5-Dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepin-2-yl]trifluoromethanesulfonamide | SCHEMBL14847735 | D4663 | N-(13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl)-1,1,
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Why this grade ≥90%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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
MFCD30475651 | WJB91577 | D90317 | N-[(11bS)-4, 5-Dihydro-3H-dinaphtho[2, 1-c:1', 2'-e]azepin-2-yl]trifluoromethanesulfonamide | SCHEMBL14847735 | D4663 | N-(13-azapentacyclo[13.8.0.02, 11.03, 8.018, 23]tricosa-1(15), 2(11), 3, 5, 7, 9, 16, 18, 20, 22-decaen-10-yl)-1, 1,
Specifications & Purity
≥90%(HPLC)
Names and Identifiers Canonical Smiles C1C2=C(C3=CC=CC=C3C=C2)C4=C(CN1)C(=CC5=CC=CC=C54)NS(=O)(=O)C(F)(F)F IUPAC Name N-(13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl)-1,1,1-trifluoromethanesulfonamide InChIKey FUXIMCCGGZIJJQ-UHFFFAOYSA-N INCHI 1S/C23H17F3N2O2S/c24-23(25,26)31(29,30)28-20-11-15-6-2-4-8-18(15)22-19(20)13-27-12-16-10-9-14-5-1-3-7-17(14)21(16)22/h1-11,27-28H,12-13H2 Isomeric SMILES C1C2=C(C3=CC=CC=C3C=C2)C4=C(CN1)C(=CC5=CC=CC=C54)NS(=O)(=O)C(F)(F)F PubChem CID 11583051 Molecular Weight 442.46
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 Benzazepines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzazepines Alternative Parents Sulfanilides Naphthalenes Azepines Aralkylamines Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Trihalomethanes Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzazepine - Naphthalene - Sulfanilide - Azepine - Aralkylamine - Organic sulfonic acid amide - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Trihalomethane - Secondary aliphatic amine - Secondary amine - Azacycle - Halomethane - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl fluoride - Organic oxide - Amine - Alkyl halide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom). 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 Molecular Weight 442.500 g/mol XLogP3 5.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 2 Exact Mass 442.096 Da Monoisotopic Mass 442.096 Da Topological Polar Surface Area 66.600 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 753.000 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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