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· · COA & SDS available for every product · Same-day shipping on in-stock items bufuralol - Moligand™ , CAS No.54340-62-4
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
SCHEMBL78552 | 891H89GFT4 | Q4986049 | EINECS 259-112-5 | 5-Methyl-1(5H)-phenazinone | CHEBI:34593 | Noclizer NS 30 | (RS)-alpha-(tert-Butylamino)methyl)-7-ethyl-12-benzofuranmethanol | alpha-((tert-Butylamino)methyl)-7-ethyl-2-benzofuranmethanol | Bufura
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Why this grade Moligand™ Moligand™ 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
SCHEMBL78552 | 891H89GFT4 | Q4986049 | EINECS 259-112-5 | 5-Methyl-1(5H)-phenazinone | CHEBI:34593 | Noclizer NS 30 | (RS)-alpha-(tert-Butylamino)methyl)-7-ethyl-12-benzofuranmethanol | alpha-((tert-Butylamino)methyl)-7-ethyl-2-benzofuranmethanol | Bufura
Specifications & Purity
Moligand™
Names and Identifiers Canonical Smiles CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O IUPAC Name 2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol InChIKey SSEBTPPFLLCUMN-UHFFFAOYSA-N INCHI 1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3 Isomeric SMILES CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O PubChem CID 71733
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 Benzofurans Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzofurans Alternative Parents Aralkylamines Benzenoids Heteroaromatic compounds Furans Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzofuran - Aralkylamine - Benzenoid - Furan - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Alcohol - Aromatic alcohol - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. External Descriptors benzofurans 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 261.360 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 Exact Mass 261.173 Da Monoisotopic Mass 261.173 Da Topological Polar Surface Area 45.400 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 287.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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