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· · COA & SDS available for every product · Same-day shipping on in-stock items tert-butyl 6-cyano-2-azaspiro[3.3]heptane-2-carboxylate - ≥97% , CAS No.1374658-94-2
Synonyms
1374658-94-2 | tert-butyl 6-cyano-2-azaspiro[3.3]heptane-2-carboxylate | SCHEMBL15472735 | MFCD28977517 | AKOS032961015 | 2-Boc-6-cyano-2-azaspiro[3.3]heptane | AS-84552 | SY313757 | 2-Boc-2-azaspiro[3.3]heptane-6-carbonitrile | C90957 | t-Butyl 6-cyano-2
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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
1374658-94-2 | tert-butyl 6-cyano-2-azaspiro[3.3]heptane-2-carboxylate | SCHEMBL15472735 | MFCD28977517 | AKOS032961015 | 2-Boc-6-cyano-2-azaspiro[3.3]heptane | AS-84552 | SY313757 | 2-Boc-2-azaspiro[3.3]heptane-6-carbonitrile | C90957 | t-Butyl 6-cyano-2
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC(C)(C)OC(=O)N1CC2(C1)CC(C2)C#N IUPAC Name tert-butyl 6-cyano-2-azaspiro[3.3]heptane-2-carboxylate InChIKey YVUMMKZOFGYPLS-UHFFFAOYSA-N INCHI 1S/C12H18N2O2/c1-11(2,3)16-10(15)14-7-12(8-14)4-9(5-12)6-13/h9H,4-5,7-8H2,1-3H3 Isomeric SMILES CC(C)(C)OC(=O)N1CC2(C1)CC(C2)C#N PubChem CID 56962173 Molecular Weight 222.29
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 Azetidines Subclass Azetidinecarboxylic acids or derivatives Intermediate Tree Nodes Not available Direct Parent Azetidinecarboxylic acids Alternative Parents Carbamate esters Tertiary amines Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteropolycyclic compounds Substituents Azetidinecarboxylic acid - Carbamic acid ester - Tertiary amine - Carbonitrile - Nitrile - Azacycle - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring. 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 222.280 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 222.137 Da Monoisotopic Mass 222.137 Da Topological Polar Surface Area 53.300 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 347.000 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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