Description

3-Amino-N-(isopropyl)benzamide (CAS No. 81882-62-4) is a high-purity organic compound with the molecular formula C₁₀H₁₄N₂O, widely utilized in pharmaceutical and biochemical research. This compound, also known by its IUPAC name 3-amino-N-propan-2-ylbenzamide, features an amino-functionalized benzamide core with an isopropyl substituent, making it a valuable intermediate in synthetic chemistry. It is supplied as a fine powder or crystalline solid with ≥95% purity (HPLC), ensuring consistency for sensitive applications. Ideal for medicinal chemistry, drug discovery, and material science, this product is rigorously tested for quality, stability, and solubility in common organic solvents (e.g., DMSO, methanol). Store in a cool, dry environment under inert conditions to maintain integrity.

Properties

• CAS Number: 81882-62-4
• Complexity: 180
• IUPAC Name: 3-amino-N-isopropyl-benzamide
• InChI: InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,11H2,1-2H3,(H,12,13)
• InChI Key: GYXJWWPQRQOJRM-UHFFFAOYSA-N
• Exact Mass: 178.110613074
• Molecular Formula: C10H14N2O
• Molecular Weight: 178.23
• SMILES: CC(C)NC(=O)C1=CC(=CC=C1)N
• Topological: 55.1
• Monoisotopic Mass: 178.110613074
• Synonyms: 3-Amino-N-(isopropyl)benzamide, EINECS 279-842-8, 279-842-8, 3-amino-N-isopropylbenzamide, 81882-62-4, 3-amino-N-propan-2-ylbenzamide, 3-amino-N-(propan-2-yl)benzamide, Benzamide, 3-amino-N-(1-methylethyl)-, (3-aminophenyl)-N-(methylethyl)carboxamide, 3-Amino-N-isopropyl-benzamide, 3-Amino-N-(1-methylethyl)benzamide, MFCD09045316, VFV7FY5Q7R, N-Isopropyl-3-aminobenzamide, SCHEMBL3650360, SCHEMBL6247685, DTXSID401002281, ALBB-012034, BBL023673, SBB051057, STK864406, AKOS000129373, 3-Amino-N-isopropylbenzamide, AldrichCPR, VS-07480, DB-105369, CS-0197442, NS00061452, ST45050720, EN300-36748, F20024, 3-Amino-N-(propan-2-yl)benzene-1-carboximidic acid, Z239124422

Application

3-Amino-N-(isopropyl)benzamide serves as a key building block in the synthesis of pharmacologically active molecules, particularly in the development of kinase inhibitors and receptor modulators. Its structural motif is leveraged in combinatorial chemistry for scaffold diversification in drug discovery pipelines. Researchers also employ it in proteomics studies as a linker or labeling reagent due to its reactive amino group.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Skin Sens. 1 (50%)
• Eye Irrit. 2 (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.