3-Dimethylaminoacrolein - ≥90% , CAS No.927-63-9

CAS: 927-63-9 Cat. No.: D434586 Summenformel: (CH₃)₂NCH=CHCHO Molekulargewicht: 99.13 Beilstein Registry Number: 969389 EG-Nummer: 213-157-7

GRADE & PURITY ≥90%

Synonyms

(E)-3-(Dimethylamino)acrolein | (2E)-3-(Dimethylamino)-2-propenal | Acrolein, 3-(dimethylamino)- | 5MVV69JD7Z | AKOS025310944 | F17473 | AKOS009127741 | 2-propenal, 3-(dimethylamino)-, (2E)- | PS-15574 | 3-Dimethylamino Acrolein | (2E)-3-(dimethylamino)ac

Storage

Room temperature

Übersicht

Application

3-Dimethylaminoacrolein was used in synthesis of: benzochlorins, benzoisobacteriochlorins and benzobacteriochlorins styryl-substituted Z / E -chlorin derivatives with chlorophyll-a skeleton Y shaped cyanines having dimethylamino end groups

Specifications

Synonyme

(E)-3-(Dimethylamino)acrolein | (2E)-3-(Dimethylamino)-2-propenal | Acrolein, 3-(dimethylamino)- | 5MVV69JD7Z | AKOS025310944 | F17473 | AKOS009127741 | 2-propenal, 3-(dimethylamino)-, (2E)- | PS-15574 | 3-Dimethylamino Acrolein | (2E)-3-(dimethylamino)ac

Spezifikationen & Reinheit

≥90%

Storage

Room temperature

Reinheit

≥90%

Namen und Kennungen

Kanonisches Lächeln

CN(C)C=CC=O

IUPAC Name

(E)-3-(dimethylamino)prop-2-enal

InChIKey

RRLMPLDPCKRASL-ONEGZZNKSA-N

INCHI

1S/C5H9NO/c1-6(2)4-3-5-7/h3-5H,1-2H3/b4-3+

Isomere SMILES

CN(C)/C=C/C=O

WGK Deutschland

3

Molekulargewicht

99.13

Beilstein

969389

Reaxy-Rn

969389

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Alpha,beta-unsaturated carbonyl compounds
          • Ebene6 Alpha,beta-unsaturated aldehydes
            • Ebene7 Enals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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 Allylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Vinylogous amide - Enal - Tertiary aliphatic amine - Tertiary amine - Allylamine - Enamine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aldehyde - Aliphatic acyclic compound
• Beschreibung: 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

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

• Brechungsindex: 1.584
• Siedepunkt (°C): 91 °C/1 mmHg；
• Molekulargewicht: 99.130 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 99.0684 Da
• Monoisotopic Mass: 99.0684 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 76.100
• 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

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 927-63-9, the molecular formula is C5H9NO, and the molecular weight is 99.13 g/mol. InChIKey RRLMPLDPCKRASL-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.