Benzoic acid,4-(formylmethylamino)- (51865-84-0)

The N-Formyl-4-(methylamino)benzoic acid, with the cas registry number 51865-84-0, has the systematic name of 4-[formyl(methyl)amino]benzoic acid. It is a kind of white to light beige powder, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C₉H₉NO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.07; (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): 5.34; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 46.61 Å²; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 47.68 cm³; (13)Molar Volume: 137.2 cm³; (14)Polarizability: 18.9×10^-24cm³; (15)Surface Tension: 58.9 dyne/cm; (16)Density: 1.305 g/cm³; (17)Flash Point: 194.1 °C; (18)Enthalpy of Vaporization: 68.31 kJ/mol; (19)Boiling Point: 397.3 °C at 760 mmHg; (20)Vapour Pressure: 5.02E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=CN(c1ccc(C(=O)O)cc1)C
(2)InChI: InChI=1/C9H9NO3/c1-10(6-11)8-4-2-7(3-5-8)9(12)13/h2-6H,1H3,(H,12,13)
(3)InChIKey: WEMYEQBKRODOGB-UHFFFAOYAD