Description

3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride (CAS No. 53104-89-5) is a high-purity organic compound with the molecular formula C₉H₁₂ClN₃. This hydrochloride salt derivative of 3-(4,5-dihydro-1H-imidazol-2-yl)aniline is a valuable intermediate in pharmaceutical and biochemical research. The compound features an imidazoline ring conjugated with an aniline moiety, making it useful for heterocyclic synthesis and drug discovery applications.

Our product is rigorously tested for purity and stability, ensuring optimal performance in sensitive reactions. It is supplied as a crystalline solid with detailed analytical data (including ¹H NMR, HPLC, and mass spectrometry) available upon request. Suitable for use in medicinal chemistry, this building block is particularly relevant for developing adrenergic receptor ligands and other biologically active molecules.

Packaged under inert atmosphere to prevent degradation, each batch comes with a Certificate of Analysis documenting purity (>98%) and impurity profiles. Store in a cool, dry place protected from light at -20°C for long-term stability.

Properties

• CAS Number: 53104-89-5
• Complexity: 188
• IUPAC Name: 3-(4,5-dihydro-1H-imidazol-2-yl)aniline;hydrochloride
• InChI: InChI=1S/C9H11N3.ClH/c10-8-3-1-2-7(6-8)9-11-4-5-12-9;/h1-3,6H,4-5,10H2,(H,11,12);1H
• InChI Key: ZRUQNSKOUWFVHR-UHFFFAOYSA-N
• Exact Mass: 197.0719751
• Molecular Formula: C9H12ClN3
• Molecular Weight: 197.66
• SMILES: C1CN=C(N1)C2=CC(=CC=C2)N.Cl
• Topological: 50.4
• Monoisotopic Mass: 197.0719751
• Synonyms: EINECS 258-365-9, 53104-89-5, 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline monohydrochloride, DTXSID00201191, DTXCID00123682, 258-365-9, 3-(4,5-dihydro-1H-imidazol-2-yl)aniline hydrochloride, SCHEMBL27888413, AEVZDUJDUBRGNI-UHFFFAOYSA-N, ZRUQNSKOUWFVHR-UHFFFAOYSA-N, NSC56419, NSC-56419, AKOS024302192, DB-303839, NS00088595, SR-01000540037, SR-01000540037-1

Application

This compound serves as a key intermediate in the synthesis of pharmaceutical agents targeting adrenergic receptors. Researchers utilize it in developing novel antihypertensive and cardiovascular drugs due to its imidazoline structural motif. The aniline functionality allows for further derivatization through diazotization or amide coupling reactions. It’s particularly valuable in medicinal chemistry programs exploring central nervous system active compounds.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.