3-AMINOBENZOYLMETHYLAMIDE

The 3-Amino-N-methylbenzamide with the CAS number 25900-61-2 is also called Benzamide,3-amino-N-methyl-. Its molecular formula is C₈H₁₀N₂O. This chemical belongs to the following product categories: (1)Amineprimary; (2)Amide; (3)Amines; (4)Phenyls & Phenyl-Het.

The properties of the chemical are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 20.47; (6)ACD/KOC (pH 7.4): 20.65; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 23.55 Å²; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 44.11 cm³; (13)Molar Volume: 132 cm³; (14)Polarizability: 17.48×10^-24cm³; (15)Surface Tension: 47.2 dyne/cm; (16)Enthalpy of Vaporization: 59.09 kJ/mol; (17)Vapour Pressure: 5.66×10^-5 mmHg at 25°C.

Uses: This chemical can react with 2-chloro-N-(3,4-dimethoxy-phenethyl)-acetamide to prepare 3-({[2-(3,4-dimethoxy-phenyl)-ethylcarbamoyl]-methyl}-amino)-N-methyl-benzamide. This reaction needs reagent NaI, CaCO₃ and solvent dimethylformamide at temperature of 50 °C. The reaction time is 7.0 hours. The yield is 51%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(N)ccc1)NC
(2)InChI: InChI=1/C8H10N2O/c1-10-8(11)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3,(H,10,11)
(3)InChIKey: PYDQTASEULDNRL-UHFFFAOYAZ