Description

4-Amino-N-benzylbenzamide (CAS No. 54977-92-3) is a high-purity organic compound with the molecular formula C₁₄H₁₄N₂O, widely utilized in pharmaceutical research and chemical synthesis. This white to off-white crystalline powder exhibits excellent solubility in organic solvents such as DMSO and methanol, making it ideal for laboratory-scale reactions and drug development applications. With a molecular weight of 226.28 g/mol, it serves as a versatile intermediate in the synthesis of bioactive molecules, particularly in the development of benzamide-based therapeutics. Our product is rigorously tested for purity (>98% by HPLC) and consistency, ensuring reliable performance in sensitive research environments. Each batch is accompanied by comprehensive analytical documentation, including NMR, MS, and HPLC chromatograms, to support your scientific investigations.

Properties

• CAS Number: 54977-92-3
• Complexity: 241
• IUPAC Name: 4-amino-N-benzyl-benzamide
• InChI: InChI=1S/C14H14N2O/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,16,17)
• InChI Key: ZWMQLNXGNSNUEO-UHFFFAOYSA-N
• Exact Mass: 226.110613074
• Molecular Formula: C14H14N2O
• Molecular Weight: 226.27
• SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N
• Topological: 55.1
• Monoisotopic Mass: 226.110613074
• Solubility: >33.9 [ug/mL]
• Synonyms: 4-Amino-N-benzylbenzamide, 54977-92-3, DTXSID70342025, DTXCID30293105, 862-004-6, benzamide, 4-amino-n-(phenylmethyl)-, (4-aminophenyl)-N-benzylcarboxamide, MFCD00440145, N-benzyl p-aminobenzamide, Oprea1_418558, 4-Amino-N-benzylbenzamide #, MLS000679762, Benzamide, 4-amino-N-benzyl-, CHEMBL164405, SCHEMBL6737728, SCHEMBL7473077, HMS1600N09, HMS2768F07, ALBB-025722, Benzamide, 4-amino-N-phenylmethyl-, BBL002641, SBB072657, STK258734, AKOS000162253, SB79880, FA133251, SMR000296602, VS-01139, CS-0188361, ST45028824, EN300-52867, F21141, AN-652/40072255, SR-01000298418, SR-01000298418-1, Z111691290

4-Amino-N-benzylbenzamide is primarily employed as a key intermediate in medicinal chemistry for the development of novel benzamide derivatives with potential pharmacological activities. Researchers utilize this compound in the synthesis of small-molecule inhibitors targeting enzyme pathways in oncology and neurology. Its structural features make it valuable for scaffold hopping in drug discovery programs, particularly in optimizing binding affinity and pharmacokinetic properties. The compound also finds applications in material science as a precursor for functionalized polymers.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (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.