501646-90-8 | 3-[(Methylcarbamoyl)amino]benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$299.00	$209.00
1g	95%	in stock	$713.00	$499.00
5g	95%	in stock	$2,811.00	$1,968.00

Description

• Catalog Number: AG37728
• Chemical Name: 3-[(Methylcarbamoyl)amino]benzoic acid
• CAS Number: 501646-90-8
• Molecular Formula: C9H10N2O3
• Molecular Weight: 194.1873
• MDL Number: MFCD14595057
• SMILES: CNC(=O)Nc1cccc(c1)C(=O)O
• NSC Number: 204538

Computed Properties

• Complexity: 230
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 1.1

Upstream Synthesis Route

3-[[(methylamino)carbonyl]amino]-benzoic acid is a versatile compound commonly used in chemical synthesis for various applications. In organic chemistry, it serves as a key building block in the synthesis of pharmaceuticals, agrochemicals, and other complex molecules. With its unique structure, this compound enables the introduction of a methylamino carbonyl group onto a benzoic acid scaffold, providing a valuable platform for further derivatization and functionalization. It plays a crucial role in the creation of diverse chemical structures and is essential in the development of new materials and compounds with specific properties and functions.