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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items tert-butyl (1S,2S,5R)-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate - ≥97% , CAS No.958457-61-9
Synonyms
tert-butyl (1S,2S,5R)-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate | 958457-61-9 | SCHEMBL1340048 | AKOS026742457 | EN300-88791 | F86292 | (1S,2S,5R)-2-Hydroxymethyl-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester | tert-butyl(1
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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 Sinónimos
tert-butyl (1S, 2S, 5R)-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate | 958457-61-9 | SCHEMBL1340048 | AKOS026742457 | EN300-88791 | F86292 | (1S, 2S, 5R)-2-Hydroxymethyl-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester | tert-butyl(1
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CC(C)(C)OC(=O)N1CC2CC2C1CO IUPAC Name tert-butyl (1S,2S,5R)-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate InChIKey SRRXFFKYXKCTOS-XHNCKOQMSA-N INCHI 1S/C11H19NO3/c1-11(2,3)15-10(14)12-5-7-4-8(7)9(12)6-13/h7-9,13H,4-6H2,1-3H3/t7-,8-,9+/m0/s1 Isómeros SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CO PubChem CID 39872284 Peso molecular 213.28
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 Clase Piperidines Subclass Piperidinecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Piperidinecarboxylic acids Alternative Parents Pyrrolidine carboxylic acids Carbamate esters Tertiary amines Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteropolycyclic compounds Substituents Piperidinecarboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aliphatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 213.270 g/mol XLogP3 0.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 213.136 Da Monoisotopic Mass 213.136 Da Topological Polar Surface Area 49.800 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 271.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 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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