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· · COA & SDS available for every product · Same-day shipping on in-stock items rel-(1S,2S,5R)-3-tert-butoxycarbonyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid - ≥97% , CAS No.72448-25-0
Synonyms
(1S,2S,5R)-rel-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid | P19131 | Z228589602 | AS-36318 | (1S,2S,5R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid | (1S,2S,5R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]
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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
(1S, 2S, 5R)-rel-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid | P19131 | Z228589602 | AS-36318 | (1S, 2S, 5R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid | (1S, 2S, 5R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC(C)(C)OC(=O)N1CC2CC2C1C(=O)O IUPAC Name (1S,2S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid InChIKey RTWMQNSZCUYSJJ-FXQIFTODSA-N INCHI 1S/C11H17NO4/c1-11(2,3)16-10(15)12-5-6-4-7(6)8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8-/m0/s1 Isomeric SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)O Alternate CAS 400720-05-0,72448-25-0 Molecular Weight 227.26 Reaxy-Rn 15650639 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15650639&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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbohydrates and carbohydrate conjugates Intermediate Tree Nodes Sugar acids and derivatives - Sugar amino acids and derivatives Direct Parent Bicyclic amino acids and derivatives Alternative Parents Alpha amino acids and derivatives Piperidinecarboxylic acids Pyrrolidine carboxylic acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteropolycyclic compounds Substituents Bicyclic amino acid - Alpha-amino acid or derivatives - Piperidinecarboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Piperidine - Carbamic acid ester - Pyrrolidine - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as bicyclic amino acids and derivatives. These are sugar amino acids in which the amino acid is attached to or partly borne within a bicyclic ring system. 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 227.260 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 227.116 Da Monoisotopic Mass 227.116 Da Topological Polar Surface Area 66.800 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 333.000 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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