FMOC-3-AMINOBENZOIC ACID

The Benzoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, with the CAS registry number 185116-42-1, is also known as 3-(Fmoc-amino)benzoic acid. It belongs to the product categories of FMOC; Miscellaneous Amino Acids; Pharmacetical; Amino Acids. This chemical's molecular formula is C₂₂H₁₇NO₄ and molecular weight is 359.37468. Its IUPAC name is called 3-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid.

Physical properties of Benzoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-: (1)ACD/LogP: 5.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 357.02; (6)ACD/BCF (pH 7.4): 10.55; (7)ACD/KOC (pH 5.5): 953.03; (8)ACD/KOC (pH 7.4): 28.17; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.684; (13)Molar Refractivity: 101 cm³; (14)Molar Volume: 265.7 cm³; (15)Surface Tension: 64 dyne/cm; (16)Density: 1.352 g/cm³; (17)Flash Point: 285.4 °C; (18)Enthalpy of Vaporization: 87.12 kJ/mol; (19)Boiling Point: 548.3 °C at 760 mmHg; (20)Vapour Pressure: 7.42E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CC(=C4)C(=O)O
(2)InChI: InChI=1S/C22H17NO4/c24-21(25)14-6-5-7-15(12-14)23-22(26)27-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20H,13H2,(H,23,26)(H,24,25)
(3)InChIKey: VFXDSSUGFNVDJP-UHFFFAOYSA-N