Ethyl 4-aminocinnamate - ≥97% , CAS No.5048-82-8

CAS: 5048-82-8 Cat. No.: E123149 Summenformel: C₁₁H₁₃NO₂ Molekulargewicht: 191.23 Beilstein Registry Number: 2803541 EG-Nummer: 225-747-1

GRADE & PURITY ≥97%

Synonyms

Ethyl trans-4-aminocinnamate | 2-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester, (E)- | AS-60482 | AKOS001015488 | ethyl (2E)-3-(4-aminophenyl)acrylate | ETHYL-4-AMINOCINNAMATE | Cinnamic acid, p-amino-, ethyl ester | AKOS025310674 | 4-aminocinnamic acid

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

Ethyl trans-4-aminocinnamate | 2-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester, (E)- | AS-60482 | AKOS001015488 | ethyl (2E)-3-(4-aminophenyl)acrylate | ETHYL-4-AMINOCINNAMATE | Cinnamic acid, p-amino-, ethyl ester | AKOS025310674 | 4-aminocinnamic acid

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)C=CC1=CC=C(C=C1)N
• IUPAC Name: ethyl (E)-3-(4-aminophenyl)prop-2-enoate
• InChIKey: NRPMBSHHBFFYBF-VMPITWQZSA-N
• INCHI: 1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3/b8-5+
• Isomere SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)N
• WGK Deutschland: 3
• Molekulargewicht: 191.23
• Beilstein: 2803541
• Reaxy-Rn: 2803540
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803540&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamic acids and derivatives
      • Subclass Cinnamic acid esters

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamic acids and derivatives
• Subclass: Cinnamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid esters
• Alternative Parents: Styrenes Aniline and substituted anilines Fatty acid esters Enoate esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid ester - Styrene - 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 - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Primary amine - Amine - Aromatic homomonocyclic compound
• Beschreibung: 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

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

• Schmelzpunkt (°C): 70-74°C
• Molekulargewicht: 191.230 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 191.095 Da
• Monoisotopic Mass: 191.095 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 205.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5048-82-8, the molecular formula is C11H13NO2, and the molecular weight is 191.23 g/mol. InChIKey NRPMBSHHBFFYBF-VMPITWQZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.