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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino 1-BOC-3-Oxoazepane - ≥95% , CAS No.870842-23-2
Synonyms
3-Oxo-azepane-1-carboxylic acid tert-butyl ester | DTXSID30628534 | FT-0647380 | AKOS015908627 | HMWANNJNYUPZPN-UHFFFAOYSA-N | SCHEMBL1336913 | A23138 | PB23604 | J-524563 | MFCD08443803 | N-Boc-3-Aza-heptan-1-One | 1-boc-3-oxoazepane | 1-Boc-3-oxo-azepan
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Why this grade ≥95% 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 Sinonimi
3-Oxo-azepane-1-carboxylic acid tert-butyl ester | DTXSID30628534 | FT-0647380 | AKOS015908627 | HMWANNJNYUPZPN-UHFFFAOYSA-N | SCHEMBL1336913 | A23138 | PB23604 | J-524563 | MFCD08443803 | N-Boc-3-Aza-heptan-1-One | 1-boc-3-oxoazepane | 1-Boc-3-oxo-azepan
Condizioni di conservazione di stoccaggio
Room temperature
Nomi e identificatori Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488200232
Sorrisi canonici
CC(C)(C)OC(=O)N1CCCCC(=O)C1
IUPAC Name
tert-butyl 3-oxoazepane-1-carboxylate
InChIKey
HMWANNJNYUPZPN-UHFFFAOYSA-N
INCHI
1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(13)8-12/h4-8H2,1-3H3
Isomeri SMILES
CC(C)(C)OC(=O)N1CCCCC(=O)C1
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21032845&ln=
Documentazione 📋 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 Classe Azepanes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Azepanes Alternative Parents Carbamate esters Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic heteromonocyclic compounds Substituents Azepane - Carbamic acid ester - Cyclic ketone - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound Descrizione This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom. 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.
Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 213.270 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 213.136 Da Monoisotopic Mass 213.136 Da Topological Polar Surface Area 46.600 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 255.000 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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