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1,4-Di-tert-butyl piperazine-1,4-dicarboxylate - 98%, high purity , CAS No.76535-75-6

COA

Grade & Purity:

≥98%

Cas Number: 76535-75-6
Molecular Weight: 286.4
PubChem CID: 545824
PubChem SID: 504759196

In stock

Item Number

D186488

Grouped product items
SKU	Size	Availability	Price
D186488-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$14.90
D186488-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$39.90
D186488-25g	25g	2	$162.90
D186488-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$639.90

Basic Description

Synonyms	76535-75-6 \| di-tert-butyl piperazine-1,4-dicarboxylate \| 1,4-Bis(tert-butoxycarbonyl)piperazine \| 1,4-Di-tert-butyl piperazine-1,4-dicarboxylate \| 1,4-Bis(Boc)piperazine \| ditert-butyl piperazine-1,4-dicarboxylate \| Di(tert-butyl) 1,4-piperazinedicarboxylate \| DI-TERT
Specifications & Purity	≥98%
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 Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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

Pubchem Sid	504759196
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759196
IUPAC Name	ditert-butyl piperazine-1,4-dicarboxylate
INCHI	InChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)15-7-9-16(10-8-15)12(18)20-14(4,5)6/h7-10H2,1-6H3
InChIKey	YROXEBCFDJQGOH-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Molecular Weight	286.4
Reaxy-Rn	4260575
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4260575&ln=

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

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2 results found

Lot Number	Certificate Type	Date	Item
C1926149	Certificate of Analysis	Nov 10, 2022	D186488
H2216293	Certificate of Analysis	Aug 19, 2022	D186488

Chemical and Physical Properties

Molecular Weight	286.370 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	286.189 Da
Monoisotopic Mass	286.189 Da
Topological Polar Surface Area	59.100 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	324.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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