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tert-butyl 6-cyano-1,4-oxazepane-4-carboxylate - 97%, high purity , CAS No.1823484-09-8

COA

Grade & Purity:

≥97%

Cas Number: 1823484-09-8
Molecular Weight: 226.27
MDL number: MFCD27922156
PubChem CID: 72698643

In stock

Item Number

T630759

Grouped product items
SKU	Size	Availability	Price
T630759-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$179.90
T630759-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$287.90
T630759-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$479.90
T630759-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$719.90
T630759-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,601.90

Basic Description

Synonyms	tert-Butyl 6-cyano-1,4-oxazepane-4-carboxylate \| 1823484-09-8 \| 4-BOC-6-CYANO-1,4-OXAZEPANE \| CS-0077702 \| tert-Butyl6-cyano-1,4-oxazepane-4-carboxylate \| EN300-4750028
Specifications & Purity	≥97%
Shipped In	Normal

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 Nitriles Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Para-oxazepine - Carbamic acid ester - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - 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

IUPAC Name	tert-butyl 6-cyano-1,4-oxazepane-4-carboxylate
INCHI	InChI=1S/C11H18N2O3/c1-11(2,3)16-10(14)13-4-5-15-8-9(6-12)7-13/h9H,4-5,7-8H2,1-3H3
InChIKey	OKGJAFUVBANFPN-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCOCC(C1)C#N
Isomeric SMILES	CC(C)(C)OC(=O)N1CCOCC(C1)C#N
PubChem CID	72698643
Molecular Weight	226.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	226.270 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	226.132 Da
Monoisotopic Mass	226.132 Da
Topological Polar Surface Area	62.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	300.000
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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