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Methyl 4-(3-(dimethylamino)acryloyl)benzoate - ≥95%, high purity , CAS No.114431-72-0

COA

Grade & Purity:

≥95%

Cas Number: 114431-72-0
Molecular Weight: 233.26
MDL number: MFCD09908108
PubChem CID: 10561611

In stock

Item Number

M770911

Grouped product items
SKU	Size	Availability	Price
M770911-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$98.90
M770911-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$198.90
M770911-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$519.90

Basic Description

Specifications & Purity	≥95%
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	Benzoyl derivatives Aryl ketones Vinylogous amides Methyl esters Enones Acryloyl compounds Trialkylamines Amino acids and derivatives Enamines Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Benzoyl - Aryl ketone - Acryloyl-group - Vinylogous amide - Alpha,beta-unsaturated ketone - Methyl ester - Enone - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Ketone - Allylamine - Carboxylic acid derivative - Enamine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen 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	methyl 4-[(E)-3-(dimethylamino)prop-2-enoyl]benzoate
INCHI	InChI=1S/C13H15NO3/c1-14(2)9-8-12(15)10-4-6-11(7-5-10)13(16)17-3/h4-9H,1-3H3/b9-8+
InChIKey	LRDCVLADWWVIHL-CMDGGOBGSA-N
Smiles	CN(C)C=CC(=O)C1=CC=C(C=C1)C(=O)OC
Isomeric SMILES	CN(C)/C=C/C(=O)C1=CC=C(C=C1)C(=O)OC
PubChem CID	10561611
Molecular Weight	233.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	233.260 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	233.105 Da
Monoisotopic Mass	233.105 Da
Topological Polar Surface Area	46.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	302.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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