(3-BOC-AMINOPHENYL)BORONIC ACID

The Carbamic acid,N-(3-boronophenyl)-, C-(1,1-dimethylethyl) ester, with CAS registry number 380430-68-2, belongs to the following product categories: (1)N-BOC; (2)Amines; (3)Blocks; (4)Boronic Acids; (5)Aryl; (6)Boronic Acids and Derivatives. It has the systematic name of {3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid. This chemical should be kept cold. And the chemical formula of this chemical is C₁₁H₁₆BNO₄.

Physical properties of Carbamic acid,N-(3-boronophenyl)-, C-(1,1-dimethylethyl) ester: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 37.04; (6)ACD/BCF (pH 7.4): 31.56; (7)ACD/KOC (pH 5.5): 461.5; (8)ACD/KOC (pH 7.4): 393.32; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 61.95 cm³; (15)Molar Volume: 200.3 cm³; (16)Polarizability: 24.55×10^-24cm³; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.18 g/cm³.

When you are using this chemical, please be cautious about it as the following:
The Carbamic acid,N-(3-boronophenyl)-, C-(1,1-dimethylethyl) ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)Nc1cccc(c1)B(O)O
(2)InChI: InChI=1/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
(3)InChIKey: CWLNHPXWZRALFS-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
(5)Std. InChIKey: CWLNHPXWZRALFS-UHFFFAOYSA-N