Alpha-acetamidocinnamic acid

Basic Information

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CAS Number

5469-45-4

Molecular Formula

C11H11NO3

Molecular Weight

205.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White cryst.

Melting Point

183.0 to 189.0 deg-C

Boiling Point

455.4 ºC at 760 mmHg

Density

1.252

Flash Point

229.2 ºC

Solubility

methanol: soluble100mg/mL, clear, yellow-green

Refractive Index

1.605

SMILES

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CC(=O)NC(=CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C11H11NO3/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)/b7-6+

InChIKey

ANVZQEASRUZEQM-VOTSOKGWSA-N

LogP

1.7428

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

278

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Prone to Moisture Absorption

Synonyms & References

English

.alpha.-Acetamidocinnamic acid
(Z)-2-Acetamido-3-phenylacrylicacid
EN300-20817
55065-02-6
SR-01000196904-1
FS-4200
1-Acetamidocinnamic acid
2-Acetylamino-3-phenylprop-2-enoic acid
2-Propenoic acid, 2-(acetylamino)-3-phenyl-
MFCD00008680
2-acetamido-3-phenylprop-2-enoic acid
XODAOBAZOQSFDS-YFHOEESVSA-N
NCGC00334338-01
AB01327454-02
HMS1579A04
N-Acetyldehydrophenylalanine
XODAOBAZOQSFDS-YFHOEESVSA-
5469-45-4
InChI=1/C11H11NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)(H,14,15)/b10-7-
SR-01000196904
I+/--Acetamidocinnamic acid
alpha-Acetamidocinnamic acid
3-Phenyl-2-acetylaminoprop-2-enoic acid
2-(ACETYLAMINO)-3-PHENYL-2-PROPENOIC ACID
(2Z)-2-ACETAMIDO-3-PHENYLPROP-2-ENOIC ACID
alpha-Acetamidocinnamic acid, 98%
AKOS002685529
.alpha.-Acetaminocinnamic acid
alpha-Acetamidocinnamic acid, purum, >=99.0% (T)
Z104483040

MDL Number

MFCD00008680

Customs Code

2924299090

FAQ

What is Alpha-acetamidocinnamic acid (CAS: 5469-45-4)?

Alpha-acetamidocinnamic acid (CAS: 5469-45-4) is an organic compound with the molecular formula C9H10NO3. It is a derivative of cinnamic acid, with an acetamide group attached to the α carbon. This compound is used in pharmaceuticals and as a reagent in organic synthesis due to its functional groups.

What are the main uses of Alpha-acetamidocinnamic acid (CAS: 5469-45-4)?

Alpha-acetamidocinnamic acid (CAS: 5469-45-4) is primarily used in the pharmaceutical industry as a precursor in drug synthesis. It also serves as a reagent in organic chemistry for the preparation of other compounds. Its applications include the synthesis of bioactive molecules and materials.

Is Alpha-acetamidocinnamic acid (CAS: 5469-45-4) safe?

Alpha-acetamidocinnamic acid (CAS: 5469-45-4) is generally considered safe for laboratory use with appropriate handling precautions. However, it is toxic and should be stored and used in a well-ventilated area. Direct contact with skin and eyes should be avoided, and proper protective equipment should be worn.

How should Alpha-acetamidocinnamic acid (CAS: 5469-45-4) be stored?

Alpha-acetamidocinnamic acid (CAS: 5469-45-4) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Ideal storage conditions include a temperature range of 15-25°C and low humidity to ensure the compound remains stable and safe for use.