Skip to the beginning of the images gallery

Ethyl 4-amino-3-cyanobenzoate - ≥97%, high purity , CAS No.1260742-52-6

COA

Grade & Purity:

≥97%

Cas Number: 1260742-52-6
Molecular Weight: 190.2
MDL number: MFCD16038777
PubChem CID: 91873775

In stock

Item Number

E770892

Grouped product items
SKU	Size	Availability	Price
E770892-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
E770892-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
E770892-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$359.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Aminobenzoic acids and derivatives Benzoyl derivatives Benzonitriles Aniline and substituted anilines Carboxylic acid esters Amino acids and derivatives Nitriles Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid or derivatives - Benzoate ester - Benzonitrile - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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 4-amino-3-cyanobenzoate
INCHI	InChI=1S/C10H10N2O2/c1-2-14-10(13)7-3-4-9(12)8(5-7)6-11/h3-5H,2,12H2,1H3
InChIKey	LGUICQOVWOBJPJ-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=C(C=C1)N)C#N
Isomeric SMILES	CCOC(=O)C1=CC(=C(C=C1)N)C#N
PubChem CID	91873775
Molecular Weight	190.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	190.200 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	190.074 Da
Monoisotopic Mass	190.074 Da
Topological Polar Surface Area	76.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	256.000
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