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CAS No.: | 933052-52-9 |
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Name: | 2-(MORPHOLINO)PHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C10H14BNO3 |
Molecular Weight: | 207.037 |
Synonyms: | (2-Morpholin-4-ylphenyl)boronicacid;2-(mopholino)phenylboronicacidc acid; |
Density: | 1.24 g/cm3 |
Boiling Point: | 414.9 °C at 760 mmHg |
Flash Point: | 204.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 52.93000 |
LogP: | -0.73200 |
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This chemical is called 2-Morpholinophenylboronic acid, and it can also be named as boronic acid, B-[2-(4-morpholinyl)phenyl]-. With the molecular formula of C10H14BNO3, its molecular weight is 207.03. The CAS registry number of this chemical is 933052-52-9, and its product categories are API Intermediates; Boronic Acid.
Other characteristics of the 2-Morpholinophenylboronic acid can be summarised as followings: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 1.98; (6)ACD/BCF (pH 7.4): 2.02; (7)ACD/KOC (pH 5.5): 55.83; (8)ACD/KOC (pH 7.4): 56.82; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 30.93 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 55.38 cm3; (15)Molar Volume: 166.6 cm3; (16)Polarizability: 21.95×10-24cm3; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 204.7 °C; (20)Enthalpy of Vaporization: 70.42 kJ/mol; (21)Boiling Point: 414.9 °C at 760 mmHg; (22)Vapour Pressure: 1.26E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OB(O)c1ccccc1N2CCOCC2
2.InChI: InChI=1/C10H14BNO3/c13-11(14)9-3-1-2-4-10(9)12-5-7-15-8-6-12/h1-4,13-14H,5-8H2
3.InChIKey: ICRHNMKDEVGGGH-UHFFFAOYAP