Ethyl (E)-3-(dimethylamino)-2-methylacrylate - ≥95% , CAS No.342910-13-8

CAS: 342910-13-8 Cat. No.: E1225691 Summenformel: C₈H₁₅NO₂ Molekulargewicht: 157.21

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)/C(=C/N(C)C)/C
• IUPAC Name: ethyl (E)-3-(dimethylamino)-2-methylprop-2-enoate
• InChIKey: RJUVPCYAOBNZAX-VOTSOKGWSA-N
• INCHI: 1S/C8H15NO2/c1-5-11-8(10)7(2)6-9(3)4/h6H,5H2,1-4H3/b7-6+
• Molekulargewicht: 157.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Vinylogous amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Vinylogous amides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinylogous amides
• Alternative Parents: Enoate esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Allylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid derivative - Allylamine - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as vinylogous amides. These are organic compounds containing an amine group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
• External Descriptors: Not available

Data sources

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 157.210 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 157.11 Da
• Monoisotopic Mass: 157.11 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 161.000
• 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