(R)-AMINO-NAPHTHALEN-1-YL-ACETIC ACID

The CAS registry number of 1-Naphthaleneaceticacid, a-amino-, (aR)- is 100896-07-9. In addition, the molecular formula is C₁₂H₁₁NO₂ and the molecular weight is 201.22. The systematic name is (2R)-ammonio(naphthalen-1-yl)ethanoate. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): -0.33; (3)ACD/LogD (pH 7.4): -0.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.15; (7)ACD/KOC (pH 7.4): 1.13; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.3 Å²; (12)Index of Refraction: 1.68; (13)Molar Refractivity: 58.74 cm³; (14)Molar Volume: 155.4 cm³; (15)Polarizability: 23.28 ×10^-24cm³; (16)Surface Tension: 62.6 dyne/cm; (17)Density: 1.294 g/cm³; (18)Flash Point: 194.5 °C; (19)Enthalpy of Vaporization: 68.39 kJ/mol; (20)Boiling Point: 398 °C at 760 mmHg; (21)Vapour Pressure: 4.76E-07 mmHg at 25°C.

Preparation of 1-Naphthaleneaceticacid, a-amino-, (aR)-: it can be prepared by (R)-1-naphthylglycine amide. This reaction is enzymatic reaction. It will need catalyst whole cells of Rhodoccocus erythropolis NCIMB 11540 and solvent aq. phosphate buffer. The reaction time is 48 hours at reaction temperature of 37 °C. The pH value of reaction solution is 8. The yield is about 74%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@@H](c2cccc1ccccc12)[NH3+]
(2)InChI: InChI=1/C12H11NO2/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,13H2,(H,14,15)/t11-/m1/s1
(3)InChIKey: SCDZHZMVNQDLCM-LLVKDONJBQ