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tert-butyl (2S)-2-(methoxymethyl)piperazine-1-carboxylate - 97%, high purity , CAS No.1217728-72-7

COA

Grade & Purity:

≥97%

Cas Number: 1217728-72-7
Molecular Weight: 230.31
MDL number: MFCD11112289
PubChem CID: 53484854

In stock

Item Number

T627477

Grouped product items
SKU	Size	Availability	Price
T627477-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$152.90
T627477-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$244.90
T627477-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$407.90
T627477-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$612.90
T627477-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,057.90

Basic Description

Synonyms	1217728-72-7 \| (S)-tert-Butyl 2-(methoxymethyl)piperazine-1-carboxylate \| (S)-1-N-BOC-2-METHOXYMETHYLPIPERAZINE \| 1-Piperazinecarboxylic acid, 2-(methoxymethyl)-, 1,1-dimethylethyl ester, (2S)- \| TERT-BUTYL (2S)-2-(METHOXYMETHYL)PIPERAZINE-1-CARBOXYLATE \|
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 Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - Carbamic acid ester - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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

Names and Identifiers

IUPAC Name	tert-butyl (2S)-2-(methoxymethyl)piperazine-1-carboxylate
INCHI	InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-12-7-9(13)8-15-4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChIKey	ODOJNXXZXCRBCC-VIFPVBQESA-N
Smiles	CC(C)(C)OC(=O)N1CCNCC1COC
Isomeric SMILES	CC(C)(C)OC(=O)N1CCNC[C@H]1COC
PubChem CID	53484854
Molecular Weight	230.31

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	230.300 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	230.163 Da
Monoisotopic Mass	230.163 Da
Topological Polar Surface Area	50.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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