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· · COA & SDS available for every product · Same-day shipping on in-stock items tert-butyl (1R,5S)-3,6-diazabicyclo[3.2.1]octane-6-carboxylate - ≥97% , CAS No.1058737-47-5
Synonyms
1058737-47-5 | (1R,5S)-tert-butyl 3,6-diazabicyclo[3.2.1]octane-6-carboxylate | MFCD22200975 | (1R,5S)-6-Boc-3,6-diazabicyclo[3.2.1]octane | DTXSID40719902 | tert-butyl (1R,5S)-3,6-diazabicyclo[3.2.1]octane-6-carboxylate | PS-15327 | (1R,5S)-6-(tert-butox
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Why this grade ≥97% 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
1058737-47-5 | (1R, 5S)-tert-butyl 3, 6-diazabicyclo[3.2.1]octane-6-carboxylate | MFCD22200975 | (1R, 5S)-6-Boc-3, 6-diazabicyclo[3.2.1]octane | DTXSID40719902 | tert-butyl (1R, 5S)-3, 6-diazabicyclo[3.2.1]octane-6-carboxylate | PS-15327 | (1R, 5S)-6-(tert-butox
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC(C)(C)OC(=O)N1CC2CC1CNC2 IUPAC Name tert-butyl (1R,5S)-3,6-diazabicyclo[3.2.1]octane-6-carboxylate InChIKey CSQBUSQTOWHXLW-BDAKNGLRSA-N INCHI 1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-8-4-9(13)6-12-5-8/h8-9,12H,4-7H2,1-3H3/t8-,9+/m1/s1 Isomeric SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CNC2 Alternate CAS 1058737-47-5 PubChem CID 56973324 Molecular Weight 212.29
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 Pyrrolidines Subclass Pyrrolidine carboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyrrolidine carboxylic acids Alternative Parents 1,4-diazepanes Piperidines Carbamate esters Tertiary amines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteropolycyclic compounds Substituents Pyrrolidine carboxylic acid - 1,4-diazepane - Diazepane - Piperidine - Carbamic acid ester - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. 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 212.290 g/mol XLogP3 0.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 212.152 Da Monoisotopic Mass 212.152 Da Topological Polar Surface Area 41.600 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 260.000 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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