CYCLOHEXYL ANTHRANILATE

The Benzoic acid, 2-amino-,cyclohexyl ester, with the CAS registry number 7779-16-0, is also known as Anthranilic acid, cyclohexyl ester and Cyclohexyl Anthranilate. Its EINECS registry number is 231-920-2. This chemical's molecular formula is C₁₃H₁₇NO₂ and molecular weight is 219.28. What's more, its systematic name is called Cyclohexyl 2-aminobenzoate. Its Classification Code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]

Physical properties about this chemical are: (1)ACD/LogP: 4.10; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.1; (4)ACD/LogD (pH 7.4): 4.1; (5)ACD/BCF (pH 5.5): 766.75; (6)ACD/BCF (pH 7.4): 766.76; (7)ACD/KOC (pH 5.5): 4040.5; (8)ACD/KOC (pH 7.4): 4040.55; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 62.57 cm³; (15)Molar Volume: 193.5 cm³; (16)Polarizability: 24.8×10^-24 cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 192.3 °C; (20)Enthalpy of Vaporization: 59.03 kJ/mol; (21)Boiling Point: 346.2 °C at 760 mmHg; (22)Vapour Pressure: 5.85E-05 mmHg at 25 °C.

Uses of Benzoic acid, 2-amino-,cyclohexyl ester: it is used to produce other chemicals. For example, it is used to produce 2-(3-Methyl-2,5-dioxo-pyrrolidin-1-yl)-benzoic acid cyclohexyl ester.

The reaction needs reagent DMAP and solvent Dimethylformamide. This reaction will occur at temperature of 125 °C. The yield is 70 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1CCCCC1)c2ccccc2N
(2) InChI: InChI=1/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2
(3) InChIKey: KFEZETDKFSMLMG-UHFFFAOYAH