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· · COA & SDS available for every product · Same-day shipping on in-stock items 1,1'-(Butane-1,4-diyl)bis[4-aza-1-azoniabicyclo[2.2.2]octane] Dibromide - ≥98%(T) , CAS No.94630-50-9
Synonyms
SCHEMBL16968721 | 1,1'-(Butane-1,4-diyl)bis(1,4-diazabicyclo[2.2.2]Octan-1-ium) bromide | 1-[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-4-aza-1-azoniabicyclo[2.2.2]octane;dibromide | AKOS015832976 | 1,1'-(Butane-1,4-diyl)bis[4-aza-1-azoniabicyclo[2.
Storage
Argon charged,Room temperature
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Why this grade ≥98%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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
SCHEMBL16968721 | 1, 1'-(Butane-1, 4-diyl)bis(1, 4-diazabicyclo[2.2.2]Octan-1-ium) bromide | 1-[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-4-aza-1-azoniabicyclo[2.2.2]octane;dibromide | AKOS015832976 | 1, 1'-(Butane-1, 4-diyl)bis[4-aza-1-azoniabicyclo[2.
Specifications & Purity
≥98%(T)
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 504767673 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504767673 Canonical Smiles C1C[N+]2(CCN1CC2)CCCC[N+]34CCN(CC3)CC4.[Br-].[Br-] IUPAC Name 1-[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-4-aza-1-azoniabicyclo[2.2.2]octane;dibromide InChIKey HYFFXZLULREGEA-UHFFFAOYSA-L INCHI 1S/C16H32N4.2BrH/c1(9-19-11-3-17(4-12-19)5-13-19)2-10-20-14-6-18(7-15-20)8-16-20;;/h1-16H2;2*1H/q+2;;/p-2 Isomeric SMILES C1C[N+]2(CCN1CC2)CCCC[N+]34CCN(CC3)CC4.[Br-].[Br-] Molecular Weight 440.27 Reaxy-Rn 22104086 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22104086&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 Diazinanes Subclass Piperazines Intermediate Tree Nodes Not available Direct Parent N-alkylpiperazines Alternative Parents Tetraalkylammonium salts Trialkylamines Azacyclic compounds Organic bromide salts Hydrocarbon derivatives Organic cations Molecular Framework Aliphatic heteropolycyclic compounds Substituents N-alkylpiperazine - Tetraalkylammonium salt - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Amine - Organic cation - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Hygroscopic Molecular Weight 440.300 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 440.097 Da Monoisotopic Mass 438.099 Da Topological Polar Surface Area 6.500 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 279.000 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 3
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