CAS No.223433-45-2,2-(Morpholin-4-ylmethyl)benzeneboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	223433-45-2
Name:	2-(Morpholin-4-ylmethyl)benzeneboronic acid

Formula:	C₁₁H₁₆BNO₃
Molecular Weight:	221.06
Synonyms:	Boronicacid, [2-(4-morpholinylmethyl)phenyl]- (9CI);
Density:	1.208 g/cm³
Melting Point:	222-226 °C
Boiling Point:	394.146 °C at 760 mmHg
Flash Point:	192.173 °C
Hazard Symbols:	Xi
PSA:	52.93000
LogP:	-0.86350

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Specification

The 2-(Morpholin-4-ylmethyl)benzeneboronic acid, with the CAS registry number 223433-45-2, is also known as [2-(4-Morpholinylmethyl)phenyl]boronic acid. It belongs to the product categories of Amines; Blocks; Boronic Acids. This chemical's molecular formula is C₁₁H₁₆BNO₃ and molecular weight is 221.06. What's more, its IUPAC name is called [2-(Morpholin-4-ylmethyl)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 2-(Morpholin-4-ylmethyl)benzeneboronic acid are: (1)ACD/LogP: 0.547 ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.42; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.27; (7)ACD/KOC (pH 5.5): 5.09; (8)ACD/KOC (pH 7.4): 39.25; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.93 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 60.019 cm³; (15)Molar Volume: 182.961 cm³; (16)Polarizability: 23.794×10^-24cm³; (17)Surface Tension: 50.393 dyne/cm; (18)Density: 1.208 g/cm³; (19)Flash Point: 192.173 °C; (20)Enthalpy of Vaporization: 67.933 kJ/mol; (21)Boiling Point: 394.146 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1c(cccc1)CN2CCOCC2
(2) InChI: InChI=1S/C11H16BNO3/c14-12(15)11-4-2-1-3-10(11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2
(3) InChIKey: DFBBOZSTIQMBLF-UHFFFAOYSA-N