Skip to the beginning of the images gallery

methyl 5-cyanopyrazine-2-carboxylate - 97%, high purity , CAS No.138560-54-0

COA

Grade & Purity:

≥97%

Cas Number: 138560-54-0
Molecular Weight: 163.14
PubChem CID: 45082509

In stock

Item Number

M628802

Grouped product items
SKU	Size	Availability	Price
M628802-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$436.90
M628802-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$698.90
M628802-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,163.90
M628802-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,096.90

Basic Description

Synonyms	methyl 5-cyanopyrazine-2-carboxylate \| 138560-54-0 \| Pyrazinecarboxylic acid, 5-cyano-, methyl ester (9CI) \| Methyl 5-cyano-2-pyrazinecarboxylate \| methyl5-cyanopyrazine-2-carboxylate \| AKOS025405191 \| 5-Methoxycarbonyl-2-pyrazinecarbonitrile \| CS-0308349
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrazines
      - Level5 Pyrazine carboxylic acids and derivatives
        Level6 Pyrazine carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrazines
Intermediate Tree Nodes	Pyrazine carboxylic acids and derivatives
Direct Parent	Pyrazine carboxylic acids
Alternative Parents	Methyl esters Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazine carboxylic acid - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazine carboxylic acids. These are heterocyclic compounds containing a pyrazine 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	methyl 5-cyanopyrazine-2-carboxylate
INCHI	InChI=1S/C7H5N3O2/c1-12-7(11)6-4-9-5(2-8)3-10-6/h3-4H,1H3
InChIKey	AEJBPQGVYKLSNF-UHFFFAOYSA-N
Smiles	COC(=O)C1=NC=C(N=C1)C#N
Isomeric SMILES	COC(=O)C1=NC=C(N=C1)C#N
PubChem CID	45082509
Molecular Weight	163.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	163.130 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	163.038 Da
Monoisotopic Mass	163.038 Da
Topological Polar Surface Area	75.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	220.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration