Name: (E)-3-(Dimethylamino)-2-methoxyacrylaldehyde - ≥95% , CAS No.13616-34-7
SKU: E181306
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Classe	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated aldehydes
Direct Parent	Enals
Alternative Parents	Vinylogous amides Trialkylamines Enamines Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic acyclic compounds
Substituents	Vinylogous amide - Enal - Tertiary aliphatic amine - Tertiary amine - Enamine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aldehyde - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position.
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

Structure 3D

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

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

Analytical Chart:

Propriétés chimiques et physiques

Poids moléculaire	129.160 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	129.079 Da
Monoisotopic Mass	129.079 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	118.000
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

Calculateurs de solution

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Avis

Sourires canoniques	CN(C)C=C(C=O)OC
IUPAC Name	(E)-3-(dimethylamino)-2-methoxyprop-2-enal
InChIKey	RQHGOEZWYCFGCY-GQCTYLIASA-N
INCHI	1S/C6H11NO2/c1-7(2)4-6(5-8)9-3/h4-5H,1-3H3/b6-4+
Isomères SMILES	CN(C)/C=C(\C=O)/OC
Poids moléculaire	129.2
Reaxy-Rn	2348403
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2348403&ln=

(E)-3-(Dimethylamino)-2-methoxyacrylaldehyde - ≥95% , CAS No.13616-34-7

Specifications