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tert-butyl cis-3,7-diazabicyclo[4.2.0]octane-7-carboxylate - 97%, high purity , CAS No.1251020-47-9

COA

Grade & Purity:

≥97%

Cas Number: 1251020-47-9
Molecular Weight: 212.29
MDL number: MFCD14581307
PubChem CID: 52421212

In stock

Item Number

T627761

Grouped product items
SKU	Size	Availability	Price
T627761-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90
T627761-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
T627761-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$646.90
T627761-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,165.90

Basic Description

Synonyms	MFCD14581307 \| AM805914 \| 3,7-Diazabicyclo[4.2.0]octane-7-carboxylic acid, 1,1-dimethylethyl ester, (1R,6R)-rel- \| 3,7-Diaza-bicyclo[4.2.0]octane-7-carboxylicacidtert-butylester \| (1R,6R)-7-Boc-3,7-diazabicyclo[4.2.0]octane \| AC2560 \| DTXSID80680480 \| A91
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	Piperidines Carbamate esters Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Azetidinecarboxylic acid - Piperidine - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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 (1R,6R)-3,7-diazabicyclo[4.2.0]octane-7-carboxylate
INCHI	InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-8-6-12-5-4-9(8)13/h8-9,12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKey	WWQRKRDWYBRFAA-RKDXNWHRSA-N
Smiles	CC(C)(C)OC(=O)N1CC2C1CCNC2
Isomeric SMILES	CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCNC2
Alternate CAS	1385694-80-3
Molecular Weight	212.29
Reaxy-Rn	18466333
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18466333&ln=

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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