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tert-butyl 2,3-dimethylpiperazine-1-carboxylate - 97%, high purity , CAS No.886780-49-0

COA

Grade & Purity:

≥97%

Cas Number: 886780-49-0
Molecular Weight: 214.3
EC Number: 818-251-7
PubChem CID: 16740581

In stock

Item Number

T634957

Grouped product items
SKU	Size	Availability	Price	Qty
T634957-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$210.90
T634957-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$959.90

Basic Description

Synonyms	MFCD08686656 \| Z1505713416 \| 2,3-Dimethyl-piperazine-1-carboxylic acid tert-butyl ester \| 2,3-dimethylpiperazine-1-carboxylic acid tert-butyl ester \| 1-Boc-2,3-dimethylpiperazine \| FT-0714021 \| 2,3-Dimethyl-piperazine-1-carboxylic acid tert-butyl ester, A
Specifications & Purity	≥97%
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	Carbamate esters Organic carbonic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - Carbamic acid ester - Carbonic acid derivative - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic 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 2,3-dimethylpiperazine-1-carboxylate
INCHI	InChI=1S/C11H22N2O2/c1-8-9(2)13(7-6-12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKey	RMTXPZPWCLGBFD-UHFFFAOYSA-N
Smiles	CC1C(N(CCN1)C(=O)OC(C)(C)C)C
Isomeric SMILES	CC1C(N(CCN1)C(=O)OC(C)(C)C)C
Alternate CAS	886780-49-0
PubChem CID	16740581
Molecular Weight	214.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	214.300 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	214.168 Da
Monoisotopic Mass	214.168 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	235.000
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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