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tert-butyl (1S,4R)-6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate - 97%, high purity , CAS No.1628319-89-0

COA

Grade & Purity:

≥97%

Cas Number: 1628319-89-0
Molecular Weight: 211.26
PubChem CID: 28820408

In stock

Item Number

T629910

Grouped product items
SKU	Size	Availability	Price
T629910-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$133.90
T629910-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$213.90
T629910-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$355.90
T629910-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$532.90
T629910-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,666.90

Basic Description

Synonyms	1628319-89-0 \| tert-butyl (1S,4R)-6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate \| (1S,4R)-2-Boc-6-oxo-2-aza-bicyclo[2.2.1]heptane \| SCHEMBL16043148 \| MFCD28656682 \| BS-43437 \| CS-0184876 \| (1S,4R)-2-Boc-6-oxo-2-azabicyclo[2.2.1]heptane \| t-Butyl (1S,4R)-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinecarboxylic acids
Alternative Parents	Pyrrolidine carboxylic acids Piperidinones Carbamate esters Ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidinecarboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Piperidinone - Carbamic acid ester - Pyrrolidine - Ketone - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
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 (1S,4R)-6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
INCHI	InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)9(13)5-7/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKey	GMFUILAFZFPFJH-SFYZADRCSA-N
Smiles	CC(C)(C)OC(=O)N1CC2CC1C(=O)C2
Isomeric SMILES	CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C(=O)C2
PubChem CID	28820408
Molecular Weight	211.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	211.260 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	211.121 Da
Monoisotopic Mass	211.121 Da
Topological Polar Surface Area	46.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	305.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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