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tert-butyl 6-formyl-1,4-oxazepane-4-carboxylate - 97%, high purity , CAS No.1269755-59-0

COA

Grade & Purity:

≥97%

Cas Number: 1269755-59-0
Molecular Weight: 229.27
PubChem CID: 71742289

In stock

Item Number

T681498

Grouped product items
SKU	Size	Availability	Price
T681498-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$646.90
T681498-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,078.90
T681498-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,540.90
T681498-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,200.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxazepines
    - Subclass 1,4-oxazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxazepines
Subclass	1,4-oxazepines
Intermediate Tree Nodes	Not available
Direct Parent	1,4-oxazepines
Alternative Parents	Carbamate esters Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Para-oxazepine - Carbamic acid ester - Dialkyl ether - Ether - Azacycle - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aldehyde - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,4-oxazepines. These are organic compounds containing an aromatic seven-membered wring containing a nitrogen and an oxygen atom, a positions 1 and 4, respectively.
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

INCHI	InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-4-5-15-8-9(6-12)7-13/h7,9H,4-6,8H2,1-3H3
InChIKey	URPNDUJBEFQVLM-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCOCC(C1)C=O
Isomeric SMILES	CC(C)(C)OC(=O)N1CCOCC(C1)C=O
PubChem CID	71742289
Molecular Weight	229.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	229.270 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	229.131 Da
Monoisotopic Mass	229.131 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	259.000
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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