Boronicacid, B-[4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-, hydrochloride (1:1) supplier

Name
4-(4-METHYLPIPERAZINE-1-CARBONYL)PHENYLBORONIC ACID, HCL
EINECS
CAS No. 913835-43-5
Density
Solubility
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
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-, monohydrochloride (9CI);
PSA 64.01000
LogP -0.56820

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

Product Name

4-(4-METHYLPIPERAZINE-1-CARBONYL)PHENYLBORONIC ACID, HCL

Boronicacid, B-[4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-, hydrochloride (1:1) Specification

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