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tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate - 97%, high purity

COA

Grade & Purity:

≥97%

PubChem CID: 16099059

In stock

Item Number

T177647

Grouped product items
SKU	Size	Availability	Price
T177647-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$296.90
T177647-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$444.90
T177647-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,379.90

Basic Description

Synonyms	851526-80-2 \| (1S,6R)-8-Boc-3,8-diazabicyclo[4.2.0]octane \| (1S,6R)-TERT-BUTYL 3,8-DIAZABICYCLO[4.2.0]OCTANE-8-CARBOXYLATE \| tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate \| (1s,6r)-3,8-diaza-bicyclo[4.2.0]octane-8-carboxylic acid tert-butyl ester
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 Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Azetidinecarboxylic acid - Piperidine - Carbamic acid ester - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic 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 (1S,6R)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate
INCHI	InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-8-4-5-12-6-9(8)13/h8-9,12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKey	ITVHTQLHEQGQNG-RKDXNWHRSA-N
Smiles	CC(C)(C)OC(=O)N1CC2C1CNCC2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	212.290 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	212.152 Da
Monoisotopic Mass	212.152 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	260.000
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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