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tert-butyl 6-methylidene-2-azaspiro[3.3]heptane-2-carboxylate - 97%, high purity

COA

Grade & Purity:

≥97%

PubChem CID: 91800891

In stock

Item Number

T174685

Grouped product items
SKU	Size	Availability	Price	Qty
T174685-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,285.90

Basic Description

Synonyms	1630906-30-7 \| tert-butyl 6-methylidene-2-azaspiro[3.3]heptane-2-carboxylate \| tert-Butyl 6-methylene-2-azaspiro[3.3]heptane-2-carboxylate \| MFCD27987242 \| 2-Azaspiro[3.3]heptane-2-carboxylic acid, 6-methylene-, 1,1-dimethylethyl ester \| SCHEMBL17645954 \| CBMMXWAEFJB
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azetidines
    - Subclass Azetidinecarboxylic acids or derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azetidines
Subclass	Azetidinecarboxylic acids or derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Azetidinecarboxylic acids
Alternative Parents	Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Azetidinecarboxylic acid - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
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 6-methylidene-2-azaspiro[3.3]heptane-2-carboxylate
INCHI	InChI=1S/C12H19NO2/c1-9-5-12(6-9)7-13(8-12)10(14)15-11(2,3)4/h1,5-8H2,2-4H3
InChIKey	CBMMXWAEFJBHDO-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC2(C1)CC(=C)C2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	209.280 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	209.142 Da
Monoisotopic Mass	209.142 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	298.000
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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