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tert-butyl 8-oxo-3,9-diazaspiro[5.5]undecane-3-carboxylate - 97%, high purity , CAS No.1061731-86-9

COA

Grade & Purity:

≥97%

Cas Number: 1061731-86-9
Molecular Weight: 268.35
MDL number: MFCD13184372
PubChem CID: 73013919

In stock

Item Number

T626720

Grouped product items
SKU	Size	Availability	Price
T626720-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$435.90
T626720-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,308.90
T626720-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,270.90

Basic Description

Synonyms	1061731-86-9 \| tert-Butyl 8-oxo-3,9-diazaspiro[5.5]undecane-3-carboxylate \| 3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 8-oxo-, 1,1-dimethylethyl ester \| tert-butyl 10-oxo-3,9-diazaspiro[5.5]undecane-3-carboxylate \| 3,9-Diazaspiro[5.5]undecane-3-carbox
Specifications & Purity	≥97%
Shipped In	Normal

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	Piperidinecarboxylic acids Piperidinones Delta lactams Carbamate esters Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Azaspirodecane - Piperidinecarboxylic acid - Delta-lactam - Piperidinone - Piperidine - Carbamic acid ester - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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

Names and Identifiers

IUPAC Name	tert-butyl 10-oxo-3,9-diazaspiro[5.5]undecane-3-carboxylate
INCHI	InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-8-5-14(6-9-16)4-7-15-11(17)10-14/h4-10H2,1-3H3,(H,15,17)
InChIKey	NICATZPYVMNDQX-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC2(CCNC(=O)C2)CC1
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC2(CCNC(=O)C2)CC1
PubChem CID	73013919
Molecular Weight	268.35

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	268.350 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	268.179 Da
Monoisotopic Mass	268.179 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	365.000
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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