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Tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate - ≥97% , CAS No.1368040-61-2

Tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate - ≥97% , CAS No.1368040-61-2

CAS: 1368040-61-2 Cat. No.: T1009435 Molecular Weight: 256.339 EC Number: 871-960-3

COA

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

Canonical Smiles	CC(C)(C)OC(=O)N1CCOCC12CCNCC2
IUPAC Name	tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
InChIKey	LNGPEAVAOLYRPC-UHFFFAOYSA-N
INCHI	1S/C13H24N2O3/c1-12(2,3)18-11(16)15-8-9-17-10-13(15)4-6-14-7-5-13/h14H,4-10H2,1-3H3
Molecular Weight	256.339

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

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azaspirodecane derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azaspirodecane derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Azaspirodecane derivatives
Alternative Parents	Morpholine carboxylic acids Piperidines Carbamate esters Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Azaspirodecane - Morpholine-4-carboxylic acid - Morpholine-4-carboxylic acid or derivatives - Morpholine - Oxazinane - Piperidine - Carbamic acid ester - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Secondary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	256.339 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	256.179 Da
Monoisotopic Mass	256.179 Da
Topological Polar Surface Area	50.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	306.000
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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Reviews

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