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1-Ethyl-2,3-dioxopiperazine - ≥98.0%, high purity , CAS No.59702-31-7

COA

Grade & Purity:

≥98%

Cas Number: 59702-31-7
Molecular Weight: 142.16
MDL number: MFCD00051825
PubChem CID: 108812
PubChem SID: 488187428

In stock

Item Number

E135210

Grouped product items
SKU	Size	Availability	Price
E135210-5g	5g	10	$16.90
E135210-25g	25g	8	$61.90
E135210-100g	100g	2	$222.90

View related series

Piperazines (158) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	1-Ethylpiperazine-2,3-dione \| T-1982C \| 4-ETHYL-2,3-DIOXYPIPERAZINE \| PIPERACILLIN SODIUM IMPURITY E [EP IMPURITY] \| EN300-30795 \| N-Ethyl-2,3-dioxopiperazine \| AT13732 \| EINECS 261-866-5 \| Propafenone hydrochloride (JP17/USP) \| 10.14272/ZBEKOEYCWKIMGU-UH
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Alpha amino acids and derivatives
Alternative Parents	Dioxopiperazines N-alkylpiperazines Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Alpha-amino acid or derivatives - Dioxopiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
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	488187428
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187428
IUPAC Name	1-ethylpiperazine-2,3-dione
INCHI	InChI=1S/C6H10N2O2/c1-2-8-4-3-7-5(9)6(8)10/h2-4H2,1H3,(H,7,9)
InChIKey	ZBEKOEYCWKIMGU-UHFFFAOYSA-N
Smiles	CCN1CCNC(=O)C1=O
Isomeric SMILES	CCN1CCNC(=O)C1=O
Molecular Weight	142.16
Reaxy-Rn	879076
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879076&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
G1812036	Certificate of Analysis	Apr 14, 2022	E135210
D2311020	Certificate of Analysis	Apr 14, 2022	E135210
D2311019	Certificate of Analysis	Apr 14, 2022	E135210

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	113-124°C
Molecular Weight	142.160 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	142.074 Da
Monoisotopic Mass	142.074 Da
Topological Polar Surface Area	49.400 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	167.000
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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