4-(MORPHOLINE-4-CARBONYL)PHENYLBORONIC ACID

The Boronic acid,B-[4-(4-morpholinylcarbonyl)phenyl]-, with CAS registry number 389621-84-5, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-(morpholin-4-ylcarbonyl)phenyl]boronic acid. And the chemical formula of this chemical is C₁₁H₁₄BNO₄.

Physical properties of Boronic acid,B-[4-(4-morpholinylcarbonyl)phenyl]-: (1)ACD/LogP: -0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.74; (4)ACD/LogD (pH 7.4): -0.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.45; (8)ACD/KOC (pH 7.4): 7.95; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 60.13 cm³; (15)Molar Volume: 179.9 cm³; (16)Polarizability: 23.83×10^-24cm³; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 245.1 °C; (20)Enthalpy of Vaporization: 78.61 kJ/mol; (21)Boiling Point: 481.6 °C at 760 mmHg; (22)Vapour Pressure: 4.38E-10 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
The Boronic acid,B-[4-(4-morpholinylcarbonyl)phenyl]- 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(c1ccc(B(O)O)cc1)N2CCOCC2
(2)InChI: InChI=1/C11H14BNO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4,15-16H,5-8H2
(3)InChIKey: KMNLIQJXZPBCDU-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H14BNO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4,15-16H,5-8H2
(5)Std. InChIKey: KMNLIQJXZPBCDU-UHFFFAOYSA-N