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tert-butyl 7-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate - 97%, high purity , CAS No.1330764-06-1

COA

Grade & Purity:

≥97%

Cas Number: 1330764-06-1
Molecular Weight: 243.3
MDL number: MFCD20230641
PubChem CID: 91800879

In stock

Item Number

T628288

Grouped product items
SKU	Size	Availability	Price
T628288-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$323.90
T628288-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$539.90
T628288-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$755.90
T628288-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,079.90

Basic Description

Synonyms	MFCD20230641 \| tert-butyl7-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate \| SB40906 \| 1330764-06-1 \| A909038 \| CS-0048148 \| 5-Oxa-2-azaspiro[3.4]octane-2-carboxylic acid, 7-(hydroxymethyl)-, 1,1-dimethylethyl ester \| AMY35729 \| 2-Boc-7-(hydroxy
Specifications & Purity	≥97%
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	Oxolanes Carbamate esters Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Azetidinecarboxylic acid - Oxolane - Carbamic acid ester - Dialkyl ether - Ether - Azacycle - Oxacycle - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - 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 7-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
INCHI	InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-7-12(8-13)4-9(5-14)6-16-12/h9,14H,4-8H2,1-3H3
InChIKey	IKNCPKYWSVUNAN-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC2(C1)CC(CO2)CO
Isomeric SMILES	CC(C)(C)OC(=O)N1CC2(C1)CC(CO2)CO
Alternate CAS	1330764-06-1
PubChem CID	91800879
Molecular Weight	243.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	243.300 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	243.147 Da
Monoisotopic Mass	243.147 Da
Topological Polar Surface Area	59.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	304.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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