(E)-3-(4-(Dimethylamino)phenyl)acrylaldehyde - ≥98% , CAS No.20432-35-3

CAS: 20432-35-3 Cat. No.: E588015 Summenformel: C11H13NO

GRADE & PURITY ≥98%

Synonyms

(E)-3-(4-(dimethylamino)phenyl)acrylaldehyde | AS-14579 | 3-(4-(Dimethylamino)phenyl)acrylaldehyde | 4-(Dimethylamino)cinnamaldehyde, >=98.0% (HPLC) | CHEBI:167815 | (N,N-dimethylamino)cinnamaldehyde | Cinnamaldehyde, p-(dimethylamino)- | Cinnamaldehyde,

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

(E)-3-(4-(dimethylamino)phenyl)acrylaldehyde | AS-14579 | 3-(4-(Dimethylamino)phenyl)acrylaldehyde | 4-(Dimethylamino)cinnamaldehyde, >=98.0% (HPLC) | CHEBI:167815 | (N,N-dimethylamino)cinnamaldehyde | Cinnamaldehyde, p-(dimethylamino)- | Cinnamaldehyde,

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CN(C)C1=CC=C(C=C1)C=CC=O

IUPAC Name

(E)-3-[4-(dimethylamino)phenyl]prop-2-enal

InChIKey

RUKJCCIJLIMGEP-ONEGZZNKSA-N

INCHI

1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3/b4-3+

Isomere SMILES

CN(C)C1=CC=C(C=C1)/C=C/C=O

Reaxy-Rn

972369

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972369&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamaldehydes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamaldehydes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamaldehydes
• Alternative Parents: Styrenes Dialkylarylamines Aniline and substituted anilines Enals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamaldehyde - Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated aldehyde - Enal - Tertiary amine - Amine - Aldehyde - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
• 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

Zugehörige Ziele (nicht menschlich)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 175.230 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 175.1 Da
• Monoisotopic Mass: 175.1 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 179.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °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 in an insulated container with ice pads. 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 20432-35-3, the molecular formula is C11H13NO. InChIKey RUKJCCIJLIMGEP-ONEGZZNKSA-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.