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2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid, 1,1-dimethylethyl ester - 97%, high purity , CAS No.198989-07-0

COA

Grade & Purity:

≥97%

Cas Number: 198989-07-0
Molecular Weight: 198.2621
PubChem CID: 2760898

In stock

Item Number

D175473

Grouped product items
SKU	Size	Availability	Price
D175473-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
D175473-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$37.90
D175473-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$84.90
D175473-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$309.90
D175473-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$523.90

Basic Description

Synonyms	198989-07-0 \| Tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate \| 2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester \| N-Boc-2,5-diaza-bicyclo[2.2.1]heptane \| 2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER \| 2,5-DIAZABICYCLO
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines
      - Level5 Piperazine carboxylic acids and derivatives
        Level6 Piperazine carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Piperazine carboxylic acids and derivatives
Direct Parent	Piperazine carboxylic acids
Alternative Parents	Pyrrolidine carboxylic acids Carbamate esters Organic carbonic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperazine-1-carboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Carbonic acid derivative - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
INCHI	InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3
InChIKey	UXAWXZDXVOYLII-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC2CC1CN2
Isomeric SMILES	CC(C)(C)OC(=O)N1CC2CC1CN2
Molecular Weight	198.2621
Reaxy-Rn	8312455
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8312455&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	198.260 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	198.137 Da
Monoisotopic Mass	198.137 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	247.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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