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864754-07-4

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Basic Information
CAS No.: 864754-07-4
Name: PIPERAZIN-1-YL-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENYL]-METHANONE
Molecular Structure:
Molecular Structure of 864754-07-4 (PIPERAZIN-1-YL-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENYL]-METHANONE)
Formula: C17H25BN2O3
Molecular Weight: 316.208
Synonyms: Piperazine,1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]- (9CI);4-(Piperazine-1-carbonyl)phenylboronic acid, pinacol ester;Piperazin-1-yl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone;
Density: 1.13 g/cm3
Boiling Point: 471.1 °C at 760 mmHg
Flash Point: 238.7 °C
PSA: 50.80000
LogP: 1.29790
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Specification

The CAS register number of Methanone,1-piperazinyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is 864754-07-4. It also can be called as 4-(Piperazine-1-carbonyl)phenylboronic acid, pinacol ester and the IUPAC name about this chemical is piperazin-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone. The molecular formula about this chemical is C17H25BN2O3 and the molecular weight is 316.2.

Physical properties about Methanone,1-piperazinyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- are: (1)#H bond acceptors: 5; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 50.8 Å2; (5)Index of Refraction: 1.546; (6)Molar Refractivity: 88.21 cm3; (7)Molar Volume: 278.4 cm3; (8)Polarizability: 34.97x10-24cm3; (9)Surface Tension: 42.4 dyne/cm; (10)Density: 1.13 g/cm3; (11)Flash Point: 238.7 °C; (12)Enthalpy of Vaporization: 73.38 kJ/mol; (13)Boiling Point: 471.1 °C at 760 mmHg; (14)Vapour Pressure: 4.8E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2ccc(cc2)C(=O)N3CCNCC3
(2)InChI: InChI=1/C17H25BN2O3/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(21)20-11-9-19-10-12-20/h5-8,19H,9-12H2,1-4H3
(3)InChIKey: OBWNKFAHYIGNHE-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C17H25BN2O3/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(21)20-11-9-19-10-12-20/h5-8,19H,9-12H2,1-4H3
(5)Std. InChIKey: OBWNKFAHYIGNHE-UHFFFAOYSA-N