FMOC-4-AMINOBENZOIC ACID

The Fmoc-4-aminobenzoic acid, with CAS registry number 185116-43-2, belongs to the following product categories: (1)FMOC; (2)Amino Acids. It has the systematic name of 4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}benzoic acid. This chemical should be stored at the temperature of 2-8°C. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of Fmoc-4-aminobenzoic acid: (1)ACD/LogP: 5.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.26; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 493.55; (6)ACD/BCF (pH 7.4): 13.32; (7)ACD/KOC (pH 5.5): 1264.2; (8)ACD/KOC (pH 7.4): 34.11; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 101 cm³; (15)Molar Volume: 265.7 cm³; (16)Polarizability: 40.04×10^-24cm³; (17)Surface Tension: 64 dyne/cm; (18)Density: 1.352 g/cm³; (19)Flash Point: 283.3 °C; (20)Enthalpy of Vaporization: 86.67 kJ/mol; (21)Boiling Point: 544.9 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-12 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-amino-benzoic acid and 9H-fluoren-9-ylmethyl chloroformate. This reaction will need reagent 10 % aq. Na2CO3 and solvent dioxane. The reaction temperature is 0 - 20 ℃. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C22H17NO4/c24-21(25)14-9-11-15(12-10-14)23-22(26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2,(H,23,26)(H,24,25)
(3)InChIKey: VGSYYBSAOANSLR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C22H17NO4/c24-21(25)14-9-11-15(12-10-14)23-22(26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2,(H,23,26)(H,24,25)
(5)Std. InChIKey: VGSYYBSAOANSLR-UHFFFAOYSA-N