Boronic acid,B-[3-(4-morpholinylmethyl)phenyl]- supplier

Name
Boronic acid, [3-(4-morpholinylmethyl)phenyl]- (9CI)
EINECS
CAS No. 397843-58-2
Article Data2
CAS DataBase
Density 1.208 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆BNO₃
Boiling Point 394.611 °C at 760 mmHg
Molecular Weight 221.064
Flash Point 192.454 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[morpholin-4-ylmethyl]phen-3-ylboronic acid;Boronicacid, [3-(4-morpholinylmethyl)phenyl]- (9CI);3-Morpholinomethylphenylboronicacid;
PSA 52.93000
LogP -0.86350

Boronic acid,B-[3-(4-morpholinylmethyl)phenyl]- Specification

The Boronic acid,B-[3-(4-morpholinylmethyl)phenyl]-, with the CAS registry number 397843-58-2, is also known as 3-(Morpholinomethyl)phenylboronic acid. It belongs to the product category of Boronicacid. This chemical's molecular formula is C₁₁H₁₆BNO₃ and molecular weight is 221.0606. What's more, its systematic name is [3-(Morpholin-4-ylmethyl)phenyl]boronic acid.

Physical properties about Boronic acid,B-[3-(4-morpholinylmethyl)phenyl]- are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 36; (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: 192.454 °C; (20)Enthalpy of Vaporization: 67.988 kJ/mol; (21)Boiling Point: 394.611 °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)c1cc(ccc1)CN2CCOCC2
(2) InChI: InChI=1/C11H16BNO3/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13/h1-3,8,14-15H,4-7,9H2
(3) InChIKey: VTSDPGUSDVMXDN-UHFFFAOYAK

Product Name

Boronic acid, [3-(4-morpholinylmethyl)phenyl]- (9CI)

Boronic acid,B-[3-(4-morpholinylmethyl)phenyl]- Specification

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