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tert-Butyl4-(3-oxobutanoyl)piperazine-1-carboxylate - ≥97%, high purity , CAS No.401566-77-6

COA

Grade & Purity:

≥97%

Cas Number: 401566-77-6
PubChem CID: 22028659

In stock

Item Number

T691761

Grouped product items
SKU	Size	Availability	Price	Qty
T691761-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$348.90

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	1,3-dicarbonyl compounds Tertiary carboxylic acid amides Carbamate esters Ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - 1,3-dicarbonyl compound - Tertiary carboxylic acid amide - Carbamic acid ester - Carboxamide group - Ketone - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - 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 4-(3-oxobutanoyl)piperazine-1-carboxylate
INCHI	InChI=1S/C13H22N2O4/c1-10(16)9-11(17)14-5-7-15(8-6-14)12(18)19-13(2,3)4/h5-9H2,1-4H3
InChIKey	IDSUGFWKJSGGAU-UHFFFAOYSA-N
Smiles	CC(=O)CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric SMILES	CC(=O)CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
PubChem CID	22028659

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	270.320 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	270.158 Da
Monoisotopic Mass	270.158 Da
Topological Polar Surface Area	66.900 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	365.000
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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