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tert-butyl 3-(piperidin-4-yloxy)azetidine-1-carboxylate hydrochloride - 97%, high purity , CAS No.2126176-76-7

COA

Grade & Purity:

≥97%

Cas Number: 2126176-76-7
EC Number: 861-470-8
MDL number: MFCD31381142
PubChem CID: 132301014

In stock

Item Number

T631729

Grouped product items
SKU	Size	Availability	Price
T631729-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$122.90
T631729-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$204.90
T631729-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$286.90
T631729-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$409.90
T631729-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,641.90
T631729-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,281.90

Basic Description

Synonyms	CS-0048358 \| EN300-623901 \| 1-Boc-3-(piperidin-4-yloxy)azetidine HCl \| SY224623 \| tert-butyl 3-piperidin-4-yloxyazetidine-1-carboxylate;hydrochloride \| 2126176-76-7 \| AS-83679 \| Z2865631023 \| P18636 \| MFCD31381142 \| BKD17676 \| 1-Boc-3-(4-piperidyloxy)azet
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	Piperidines Carbamate esters Organic carbonic acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azetidinecarboxylic acid - Piperidine - Carbamic acid ester - Carbonic acid derivative - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen 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-piperidin-4-yloxyazetidine-1-carboxylate;hydrochloride
INCHI	InChI=1S/C13H24N2O3.ClH/c1-13(2,3)18-12(16)15-8-11(9-15)17-10-4-6-14-7-5-10;/h10-11,14H,4-9H2,1-3H3;1H
InChIKey	UIKDPQADJWQESJ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(C1)OC2CCNCC2.Cl
Isomeric SMILES	CC(C)(C)OC(=O)N1CC(C1)OC2CCNCC2.Cl
Alternate CAS	2126176-76-7
PubChem CID	132301014

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	292.800 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	292.155 Da
Monoisotopic Mass	292.155 Da
Topological Polar Surface Area	50.800 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	289.000
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	2

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