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tert-butyl 3-ethynyl-3-hydroxyazetidine-1-carboxylate - 97%, high purity

COA

Grade & Purity:

≥97%

PubChem CID: 65921280

In stock

Item Number

T173063

Grouped product items
SKU	Size	Availability	Price	Qty
T173063-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
T173063-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$422.90

Basic Description

Synonyms	1259034-35-9 \| TERT-BUTYL 3-ETHYNYL-3-HYDROXYAZETIDINE-1-CARBOXYLATE \| 1-BOC-3-ETHYNYL-3-HYDROXYAZETIDINE \| MFCD21324699 \| 1-Azetidinecarboxylic acid, 3-ethynyl-3-hydroxy-, 1,1-dimethylethyl ester \| SCHEMBL992628 \| 1-Boc-3-ethynylazetidin-3-ol \| LCZC1233 \| DTXSID20734956
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	Ynones Tertiary alcohols Carbamate esters Tertiary amines Azacyclic compounds Acetylides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azetidinecarboxylic acid - Ynone - Tertiary alcohol - Carbamic acid ester - Tertiary amine - Acetylide - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic 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 3-ethynyl-3-hydroxyazetidine-1-carboxylate
INCHI	InChI=1S/C10H15NO3/c1-5-10(13)6-11(7-10)8(12)14-9(2,3)4/h1,13H,6-7H2,2-4H3
InChIKey	VAWFBGXKDDJABY-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(C1)(C#C)O

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

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

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
H2415383	Certificate of Analysis	Apr 24, 2024	T173063

Chemical and Physical Properties

Molecular Weight	197.230 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	197.105 Da
Monoisotopic Mass	197.105 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	288.000
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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