3-Amino-4-methylbenzamide

The Benzamide,3-amino-4-methyl-, with the CAS registry number 19406-86-1 and EINECS registry number 243-039-0, has the systematic name and IUPAC name of 3-amino-4-methylbenzamide. It is a kind of light brown crystalline chunks, and belongs to the following product categories: Intermediates of Dyes and Pigments; Amide; Amineprimary; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C₈H₁₀N₂O.

The characteristics of Benzamide,3-amino-4-methyl- are as followings: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.33; (6)ACD/BCF (pH 7.4): 2.35; (7)ACD/KOC (pH 5.5): 63.76; (8)ACD/KOC (pH 7.4): 64.09; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 44.24 cm³; (15)Molar Volume: 126.6 cm³; (16)Polarizability: 17.53×10^-24cm³; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.185 g/cm³; (19)Flash Point: 137.6 °C; (20)Enthalpy of Vaporization: 54.43 kJ/mol; (21)Boiling Point: 304 °C at 760 mmHg; (22)Vapour Pressure: 0.0009 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1cc(N)c(cc1)C)N
(2)InChI: InChI=1/C8H10N2O/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H2,10,11)
(3)InChIKey: VYBKAZXQKUFAHG-UHFFFAOYAF