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ETHYL ALPHA-CYANO-4-(DIMETHYLAMINO)CINNAMATE , CAS No.1886-52-8

COA

Cas Number: 1886-52-8
Molecular Weight: 244.296
PubChem CID: 242544

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Item Number

E168176

Grouped product items
SKU	Size	Availability	Price	Qty
E168176-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90
E168176-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$184.90

Discover ETHYL ALPHA-CYANO-4-(DIMETHYLAMINO)CINNAMATE by Aladdin Scientific in for only $117.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1886-52-8 \| ethyl 2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate \| 2-Propenoic acid, 2-cyano-3-[4-(dimethylamino)phenyl]-, ethyl ester \| MFCD00026847 \| DTXSID80287473 \| AKOS016038179 \| SY022453 \| ethyl alpha-cyano-4-(dimethylamino)cinnamate
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamic acids and derivatives
    - Subclass Cinnamic acid esters

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Cinnamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acid esters
Alternative Parents	Dialkylarylamines Aniline and substituted anilines Fatty acid esters Enoate esters Amino acids and derivatives Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid ester - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxide - Cyanide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic 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 2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate
INCHI	InChI=1S/C14H16N2O2/c1-4-18-14(17)12(10-15)9-11-5-7-13(8-6-11)16(2)3/h5-9H,4H2,1-3H3
InChIKey	UWWFWHASAAPOLK-UHFFFAOYSA-N
Smiles	CCOC(=O)C(=CC1=CC=C(C=C1)N(C)C)C#N
Isomeric SMILES	CCOC(=O)C(=CC1=CC=C(C=C1)N(C)C)C#N
Molecular Weight	244.296
Reaxy-Rn	2811215
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2811215&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	244.290 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	244.121 Da
Monoisotopic Mass	244.121 Da
Topological Polar Surface Area	53.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	357.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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