Skip to the beginning of the images gallery

Ethyl 2-cyano-2-(pyrimidin-2-yl)acetate - 95%, high purity , CAS No.65364-63-8

COA

Grade & Purity:

≥95%

Cas Number: 65364-63-8
Molecular Weight: 191.19
PubChem CID: 14169570

In stock

Item Number

E194413

Grouped product items
SKU	Size	Availability	Price	Qty
E194413-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$12.90
E194413-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$50.90

Discover Ethyl 2-cyano-2-(pyrimidin-2-yl)acetate by Aladdin Scientific in 95% for only $12.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	65364-63-8 \| ethyl 2-cyano-2-(pyrimidin-2-yl)acetate \| Cyanopyrimidin-2-yl-acetic acid ethyl ester \| Ethyl 2-Cyano-2-(2-pyriMidyl)acetate \| ethyl 2-cyano-2-pyrimidin-2-ylacetate \| MFCD00297325 \| ethyl pyrimidyl-2-cyanoacetate \| DTXSID80556853 \| Ethyl cyano(pyrimidin-2-yl
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidines and pyrimidine derivatives
Alternative Parents	Heteroaromatic compounds Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
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	ethyl 2-cyano-2-pyrimidin-2-ylacetate
INCHI	InChI=1S/C9H9N3O2/c1-2-14-9(13)7(6-10)8-11-4-3-5-12-8/h3-5,7H,2H2,1H3
InChIKey	CGJJSVUMDOTFHU-UHFFFAOYSA-N
Smiles	CCOC(=O)C(C#N)C1=NC=CC=N1
Isomeric SMILES	CCOC(=O)C(C#N)C1=NC=CC=N1
Molecular Weight	191.19
Reaxy-Rn	787840
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=787840&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	191.190 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	191.069 Da
Monoisotopic Mass	191.069 Da
Topological Polar Surface Area	75.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	240.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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