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| Name |
Boronicacid, B-[4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-, hydrochloride (1:1) |
EINECS | N/A |
| CAS No. | 913835-43-5 | Density | N/A |
| PSA | 64.01000 | LogP | -0.56820 |
| Solubility | N/A | Melting Point |
187-189℃ |
| Formula | C12H18BClN2O3 | Boiling Point | 481.8 °C at 760 mmHg |
| Molecular Weight | 284.551 | Flash Point | 245.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 36 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
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| Synonyms |
Boronicacid, [4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-, monohydrochloride (9CI); |
Boronicacid, B-[4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-, hydrochloride (1:1) Specification
The Boronicacid, B-[4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-, hydrochloride (1:1), with CAS registry number 913835-43-5, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-(4-methylpiperazine-1-carbonyl)phenyl]boronic acid hydrochloride. And the chemical formula of this chemical is C12H18BClN2O3.
Physical properties of Boronicacid, B-[4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-, hydrochloride (1:1): (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 64.01 Å2; (6)Flash Point: 245.2 °C; (7)Enthalpy of Vaporization: 78.65 kJ/mol; (8)Boiling Point: 481.8 °C at 760 mmHg; (9)Vapour Pressure: 4.28E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)N2CCN(CC2)C)(O)O.Cl
(2)InChI: InChI=1/C12H17BN2O3.ClH/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(5-3-10)13(17)18;/h2-5,17-18H,6-9H2,1H3;1H
(3)InChIKey: OUEWYSQRULKJEQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C12H17BN2O3.ClH/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(5-3-10)13(17)18;/h2-5,17-18H,6-9H2,1H3;1H
(5)Std. InChIKey: OUEWYSQRULKJEQ-UHFFFAOYSA-N
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