N-[2-(1H-Imidazol-4-yl)ethyl]-beta-alaninamide dihydrochloride

Basic Information

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CAS Number

57022-38-5

Molecular Formula

C8H16Cl2N4O

Molecular Weight

255.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Solubility

H2O: >15mg/mL

SMILES

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Cl.Cl.NCCC(=O)NCCC1=CN=CN1

InChI

InChI=1S/C8H14N4O.2ClH/c9-3-1-8(13)11-4-2-7-5-10-6-12-7;;/h5-6H,1-4,9H2,(H,10,12)(H,11,13);2*1H

InChIKey

ZQTUNIWBUQUKAM-UHFFFAOYSA-N

LogP

0.26079999999999975

Topological Polar Surface Area

83.80000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 5

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Synonyms & References

English

N-(2-(1H-Imidazol-5-yl)ethyl)-3-aminopropanamide dihydrochloride
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide,dihydrochloride
Propanamide, 3-amino-N-2-(1H-imidazol-4-yl)ethyl-, dihydrochloride
β-Alanylhistamine dihydrochloride
3-Amino-N-[2-(1H-imidazol-4-yl)ethyl]propanamide dihydrochloride
Alistin
Beta-Alanylhistamine dihydrochloride
Decarboxy Carnosine HCL
Decarboxylation carnosine
N-(2-(1H-imidazol-5-yl)ethyl)-3-aminopropanamide
hydrochloride (1:2)

MDL Number

MFCD22200567

FAQ

What are the physical and chemical properties of N-[2-(1H-Imidazol-4-yl)ethyl]-beta-alaninamide dihydrochloride (CAS: 57022-38-5)?

N-[2-(1H-Imidazol-4-yl)ethyl]-beta-alaninamide dihydrochloride (CAS: 57022-38-5) is a white or off-white crystalline solid. It has a molecular weight of approximately 266.76 g/mol. The compound is soluble in water and has moderate solubility in organic solvents. It exhibits good stability under normal temperature and pressure conditions but is reactive towards bases, showing basic properties. It can undergo hydrolysis under acidic conditions.

How is N-[2-(1H-Imidazol-4-yl)ethyl]-beta-alaninamide dihydrochloride (CAS: 57022-38-5) typically synthesized?

N-[2-(1H-Imidazol-4-yl)ethyl]-beta-alaninamide dihydrochloride (CAS: 57022-38-5) is synthesized through a multi-step process. The initial step involves the condensation of imidazol-4-yl ethyl bromide with beta-alanine followed by amidation. The reaction is typically catalyzed by a mild dehydrating agent, and the final step involves the addition of HCl to form the dihydrochloride salt. The process yields high purity products with good selectivity and yield.

What industries use N-[2-(1H-Imidazol-4-yl)ethyl]-beta-alaninamide dihydrochloride (CAS: 57022-38-5)?

N-[2-(1H-Imidazol-4-yl)ethyl]-beta-alaninamide dihydrochloride (CAS: 57022-38-5) finds uses in the pharmaceutical industry, where it is used as a precursor in the synthesis of certain drugs. It also has applications in the development of sensors and in the production of semiconductors, owing to its specific functional groups and chemical properties.

What precautions should be taken when handling N-[2-(1H-Imidazol-4-yl)ethyl]-beta-alaninamide dihydrochloride (CAS: 57022-38-5)?

When handling N-[2-(1H-Imidazol-4-yl)ethyl]-beta-alaninamide dihydrochloride (CAS: 57022-38-5), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize exposure to vapors. Spills should be cleaned up using an appropriate absorbent followed by thorough rinsing with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and follow all local safety regulations.