Aegeline | CAS No. 456-12-2

Aegeline

Basic Information

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CAS Number

456-12-2

Molecular Formula

C18H19NO3

Molecular Weight

297.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

177.0 to 181.0 deg-C

Boiling Point

567.6°C at 760 mmHg

SMILES

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COc1ccc(cc1)C(CNC(=O)/C=C/c2ccccc2)O

InChI

InChI=1S/C18H19NO3/c1-22-16-10-8-15(9-11-16)17(20)13-19-18(21)12-7-14-5-3-2-4-6-14/h2-12,17,20H,13H2,1H3,(H,19,21)/b12-7+

InChIKey

QRFDENJATPJOKG-KPKJPENVSA-N

LogP

2.5582000000000007

Topological Polar Surface Area

58.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

N-(2-Hydroxy-2-(4-methoxyphenyl)ethyl)cinnamamide
aegeline
(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
Aegelin
Printing Roller Cleaner
2-propenamide
(E)-N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]cinnamamide
(+-)-Aegeline
(+-)-Egeline
N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]cinnamamide
AK142226
(+/-)-Aegeline
MEGxp0_001339
N-(2-Hydroxy-2(4-methoxyphenyl)ethyl)-3-phenyl-2-propenamide, (E)-
7162AJ
RL03710
ST2413544
AX8282099
N-Cinnamoyl-?-Hydroxy-4-methoxyphenyl-aethylamin
N-CinnaMoyl--hydroxy-4-Methoxyphenyl-aethylaMin
(E)-N-[2-Hy
Aegeline

MDL Number

MFCD00048045

Customs Code

2924299090

FAQ

What are the physical and chemical properties of Aegeline (CAS: 456-12-2)?

Aegeline (CAS: 456-12-2) is a white crystalline powder with a molecular weight of approximately 354.32 g/mol. It is sparingly soluble in water and ethanol. Aegeline is relatively stable under normal conditions but reacts with strong oxidizing agents. It can be synthesized using various methods, often involving aromatic substitution reactions.

How is Aegeline (CAS: 456-12-2) typically synthesized?

Aegeline (CAS: 456-12-2) is typically synthesized through a series of aromatic substitution reactions, such as Friedel-Crafts acylation followed by reduction. The synthesis involves the use of a catalyst like aluminum chloride and requires precise conditions to achieve high yield and selectivity.

What industries use Aegeline (CAS: 456-12-2)?

Aegeline (CAS: 456-12-2) is primarily used in the pharmaceutical industry for its potential as an antiviral agent. It is also explored in the polymer industry for its stability and biocompatibility. Additionally, Aegeline finds applications in the sensor industry due to its unique optical properties.

What precautions should be taken when handling Aegeline (CAS: 456-12-2)?

When handling Aegeline (CAS: 456-12-2), it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight. Use a fume hood during handling to minimize inhalation. In the event of a spill, immediately clean it up with appropriate absorbents and follow the safety data sheet (SDS) for disposal instructions.