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| CAS No.: | 1050505-85-5 |
|---|---|
| Name: | 2-(1-Piperidinyl)phenylboronic acid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H16BNO2 |
| Molecular Weight: | 205.065 |
| Synonyms: | 2-(1-PIPERIDINYL)PHENYLBORONIC ACID;(2-(Piperidin-1-yl)phenyl)boronic acid |
| Density: | 1.16 g/cm3 |
| Boiling Point: | 391.6 °C at 760 mmHg |
| Flash Point: | 190.6 °C |
| PSA: | 43.70000 |
| LogP: | 0.42170 |
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- Total:24 Page 1 of 1 1
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Specification
This chemical is called 2-(1-Piperidinyl)phenylboronic acid, and its systematic name is (2-piperidin-1-ylphenyl)boronic acid. With the molecular formula of C11H16BNO2, its molecular weight is 205.06. The CAS registry number of this chemical is 1050505-85-5.
Other characteristics of the 2-(1-Piperidinyl)phenylboronic acid can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 29.79; (6)ACD/BCF (pH 7.4): 34.59; (7)ACD/KOC (pH 5.5): 374.33; (8)ACD/KOC (pH 7.4): 434.66; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 58.27 cm3; (15)Molar Volume: 176.7 cm3; (16)Polarizability: 23.1×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 190.6 °C; (20)Enthalpy of Vaporization: 67.63 kJ/mol; (21)Boiling Point: 391.6 °C at 760 mmHg; (22)Vapour Pressure: 7.81E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OB(O)c1ccccc1N2CCCCC2|
2.InChI: InChI=1/C11H16BNO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7,14-15H,1,4-5,8-9H2
3.InChIKey: NPZUBLWFOBRQAV-UHFFFAOYAW