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tert-butyl (3S)-3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate - 97%, high purity , CAS No.1217810-25-7

COA

Grade & Purity:

≥97%

Cas Number: 1217810-25-7
Molecular Weight: 258.32
MDL number: MFCD05863891
PubChem CID: 6558431

In stock

Item Number

T627484

Grouped product items
SKU	Size	Availability	Price
T627484-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$382.90
T627484-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$612.90
T627484-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,021.90
T627484-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,839.90

Basic Description

Synonyms	CS-0112877 \| SCHEMBL17062858 \| (S)-3-METHOXYCARBONYLMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER \| tert-Butyl (S)-3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate \| tert-butyl (3S)-3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate \| TS-00832 \| AKOS
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	Methyl esters Carbamate esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - Carbamic acid ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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 (3S)-3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate
INCHI	InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-13-9(8-14)7-10(15)17-4/h9,13H,5-8H2,1-4H3/t9-/m0/s1
InChIKey	VLMVFRLASKOYKX-VIFPVBQESA-N
Smiles	CC(C)(C)OC(=O)N1CCNC(C1)CC(=O)OC
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN[C@H](C1)CC(=O)OC
Alternate CAS	1217810-25-7
PubChem CID	6558431
Molecular Weight	258.32

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	258.310 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	258.158 Da
Monoisotopic Mass	258.158 Da
Topological Polar Surface Area	67.900 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	312.000
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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