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tert-butyl 3-(5-bromopentoxy)azetidine-1-carboxylate - 97%, high purity , CAS No.1221715-90-7

COA

Grade & Purity:

≥97%

Cas Number: 1221715-90-7
Molecular Weight: 322.24
PubChem CID: 53484300

In stock

Item Number

T627501

Grouped product items
SKU	Size	Availability	Price
T627501-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$141.90
T627501-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$225.90
T627501-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$376.90
T627501-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$564.90
T627501-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,826.90

Basic Description

Synonyms	D84875 \| SB52145 \| 1-Boc-3-(5-bromopentoxy)azetidine \| 1221715-90-7 \| AKOS015969277 \| CS-0310109 \| Tert-butyl3-(5-bromopentoxy)azetidine-1-carboxylate \| tert-butyl 3-(5-bromopentoxy)azetidine-1-carboxylate \| AS-79391 \| DTXSID60703909 \| TERT-BUTYL 3-[(5-BR
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	Carbamate esters Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azetidinecarboxylic acid - Carbamic acid ester - Dialkyl ether - Ether - Azacycle - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - 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-(5-bromopentoxy)azetidine-1-carboxylate
INCHI	InChI=1S/C13H24BrNO3/c1-13(2,3)18-12(16)15-9-11(10-15)17-8-6-4-5-7-14/h11H,4-10H2,1-3H3
InChIKey	FQOPKKIVAHQFPF-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC(C1)OCCCCCBr
Isomeric SMILES	CC(C)(C)OC(=O)N1CC(C1)OCCCCCBr
Alternate CAS	1221715-90-7
PubChem CID	53484300
Molecular Weight	322.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	322.240 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	321.094 Da
Monoisotopic Mass	321.094 Da
Topological Polar Surface Area	38.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	259.000
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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