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| CAS No.: | 229009-40-9 |
|---|---|
| Name: | 4-(4-Methylpiperazin-1-yl)phenylboronic Acid |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C11H17BN2O2 |
| Molecular Weight: | 220.079 |
| Synonyms: | (4-(4-Methylpiperazin-1-yl)phenyl)boronic acid |
| Density: | 1.2 g/cm3 |
| Boiling Point: | 406.2 °C at 760 mmHg |
| Flash Point: | 199.5 °C |
| PSA: | 46.94000 |
| LogP: | -0.87890 |
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- Total:38 Page 1 of 1 1
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Specification
The 4-(4-Methylpiperazin-1-yl)phenylboronic Acid, with the CAS registry number of 229009-40-9, is also known as Boronic acid, B-[4-(4-methyl-1-piperazinyl)phenyl]-. This chemical's molecular formula is C11H17BN2O2 and molecular weight is 220.078. What's more, its systematic name is [4-(4-Methylpiperazin-1-yl)phenyl]boronic acid.
Physical properties about the 4-(4-Methylpiperazin-1-yl)phenylboronic Acid are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.83; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 46.94 Å2; (8)Index of Refraction: 1.593; (9)Molar Refractivity: 62.15 cm3; (10)Molar Volume: 183.2 cm3; (11)Surface Tension: 52.5 dyne/cm; (12)Density: 1.2 g/cm3; (13)Flash Point: 199.5 °C; (14)Enthalpy of Vaporization: 69.38 kJ/mol; (15)Boiling Point: 406.2 °C at 760 mmHg; (16)Vapour Pressure: 2.5E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc(cc1)N2CCN(CC2)C)(O)O
(2) InChI: InChI=1/C11H17BN2O2/c1-13-6-8-14(9-7-13)11-4-2-10(3-5-11)12(15)16/h2-5,15-16H,6-9H2,1H3
(3) InChIKey: LSKYURVDOIDSCG-UHFFFAOYAC