N-FMOC-2-AMINOINDAN-2-CARBOXYLIC ACID

The 1H-Indene-2-carboxylicacid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro- is an organic compound with the formula C₂₅H₂₁NO₄. The systematic name of this chemical is 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid. With the CAS registry number 135944-07-9, it is also named as N-Fmoc-2-Aminoindan-2-Carboxylic Acid. The product's categories are Fmoc; Amino Acids. Besides, it is a white to almost white crystalline powder, which should be stored in a closed cool and dry place at temperature of 0 - 6 °C.

Physical properties about 1H-Indene-2-carboxylicacid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro- are: (1)ACD/LogP: 5.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 85.24; (6)ACD/BCF (pH 7.4): 2.87; (7)ACD/KOC (pH 5.5): 215.44; (8)ACD/KOC (pH 7.4): 7.25; (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: 1.694; (14)Molar Refractivity: 111.63 cm³; (15)Molar Volume: 290.7 cm³; (16)Polarizability: 44.25×10^-24cm³; (17)Surface Tension: 68.8 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 345.1 °C; (20)Enthalpy of Vaporization: 100.28 kJ/mol; (21)Boiling Point: 647.1 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-17 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-amino-indan-2-carboxylic acid and 9-fluorenylmethyl-succinimidyl-carbonate. This reaction will need reagent 10 percent aq. Na₂CO₃ and solvent dioxane. The reaction time is 120 min with reaction temperature of 0 °C. The yield is about 81%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C5(NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccccc4C5
(2)InChI: InChI=1/C25H21NO4/c27-23(28)25(13-16-7-1-2-8-17(16)14-25)26-24(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22H,13-15H2,(H,26,29)(H,27,28)
(3)InChIKey: MCDKTZLMNAVTIJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C25H21NO4/c27-23(28)25(13-16-7-1-2-8-17(16)14-25)26-24(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22H,13-15H2,(H,26,29)(H,27,28)
(5)Std. InChIKey: MCDKTZLMNAVTIJ-UHFFFAOYSA-N