The β-Alanine, N-(3-boronobenzoyl)-,1-ethyl ester, with the CAS registry number 850567-28-1, is also known as Ethyl 3-(3-borono)benzamidopropanoate. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C₁₂H₁₆BNO₅ and molecular weight is 265.07. What's more, its systematic name is called [3-[(3-Ethoxy-3-oxo-propyl)carbamoyl]phenyl]boronic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about β-Alanine, N-(3-boronobenzoyl)-,1-ethyl ester are: (1) ACD/LogP: 1.03; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.03; (4) ACD/LogD (pH 7.4): 0.93; (5) #H bond acceptors: 6; (6) #H bond donors: 3; (7) #Freely Rotating Bonds: 9; (8) Polar Surface Area: 95.86 Å²; (9)Index of Refraction: 1.537; (10) Molar Refractivity: 66.69 cm³; (11) Molar Volume: 213.2 cm³; (12) Surface Tension: 50.8 dyne/cm; (13) Density: 1.24 g/cm³; (14) Melting Point: 128-132 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cccc(c1)C(=O)NCCC(=O)OCC)(O)O
(2) InChI: InChI=1/C12H16BNO5/c1-2-19-11(15)6-7-14-12(16)9-4-3-5-10(8-9)13(17)18/h3-5,8,17-18H,2,6-7H2,1H3,(H,14,16)
(3) InChIKey: COZCKUUEUXAVCK-UHFFFAOYAI