trans-4-(Diethylamino)cinnamaldehyde - ≥97% , CAS No.22411-59-2

CAS: 22411-59-2 Cat. No.: T347020 Molecular Weight: 203.28 EC Number: 806-301-0 PubChem CID: 5375106

GRADE & PURITY ≥97%

Synonyms

AKOS022622923 | DTXSID90418751 | 3-[4-(diethylamino)phenyl]prop-2-enal | 4-(diethylamino)cinnamaldehyde | EN300-1851948 | trans-4-(Diethylamino)cinnamaldehyde | (2E)-3-[4-(Diethylamino)phenyl]-2-propenal # | J-014694 | (E)-3-[4-(diethylamino)phenyl]prop-2

Storage

Room temperature

Shipped In

Normal

Overview

trans|-4-(Diethylamino)cinnamaldehyde is a potential building block to synthesis of longer wavelength Styryl dyes. Styryl dyes are commonly used as fluorescent compounds utilized in neurobiology research studies.

Specifications

Synonyms

AKOS022622923 | DTXSID90418751 | 3-[4-(diethylamino)phenyl]prop-2-enal | 4-(diethylamino)cinnamaldehyde | EN300-1851948 | trans-4-(Diethylamino)cinnamaldehyde | (2E)-3-[4-(Diethylamino)phenyl]-2-propenal # | J-014694 | (E)-3-[4-(diethylamino)phenyl]prop-2

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504763792
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763792
• Canonical Smiles: CCN(CC)C1=CC=C(C=C1)C=CC=O
• IUPAC Name: (E)-3-[4-(diethylamino)phenyl]prop-2-enal
• InChIKey: JXXOTBSUZDDHLT-AATRIKPKSA-N
• INCHI: 1S/C13H17NO/c1-3-14(4-2)13-9-7-12(8-10-13)6-5-11-15/h5-11H,3-4H2,1-2H3/b6-5+
• Isomeric SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/C=O
• WGK Germany: 3
• PubChem CID: 5375106
• Molecular Weight: 203.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water (partly).
• Refractive Index: n20D1.58 (Predicted)
• Boil Point(°C): 355.40° C at 760 mmHg (Predicted)
• Melt Point(°C): 74-76° C (lit.)
• Molecular Weight: 203.280 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 203.131 Da
• Monoisotopic Mass: 203.131 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 201.000
• 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