CAS No.470478-90-1,4-(4-TERT-BUTOXYCARBONYLPIPERAZINYL)PHENYLBORONIC ACID, PINACOL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	470478-90-1
Name:	4-(4-TERT-BUTOXYCARBONYLPIPERAZINYL)PHENYLBORONIC ACID, PINACOL ESTER
Article Data:	13

Formula:	C₂₁H₃₃BN₂O₄
Molecular Weight:	388.315
Synonyms:	4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]piperazine-1-carboxylicacid tert-butyl ester;tert-Butyl4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate;
Density:	1.11 g/cm³
Melting Point:	157 °C
Boiling Point:	501.7 °C at 760 mmHg
Flash Point:	257.2 °C
Risk Codes:	36/37/38
Safety:	26-36
PSA:	51.24000
LogP:	3.04580

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Specification

This chemical is called tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate, and its CAS registry number is 470478-90-1. With the molecular formula of C₂₁H₃₃BN₂O₄, its molecular weight is 388.31. Additionally, its product categories are Aryl; Boronic ester; Organoborons.

Other characteristics of the tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate can be summarised as followings: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 51.24 Å²; (5)Index of Refraction: 1.536; (6)Molar Refractivity: 108.71 cm³; (7)Molar Volume: 348.4 cm³; (8)Polarizability: 43.09×10^-24cm³; (9)Surface Tension: 41.7 dyne/cm; (10)Density: 1.11 g/cm³; (11)Flash Point: 257.2 °C; (12)Enthalpy of Vaporization: 77.05 kJ/mol; (13)Boiling Point: 501.7 °C at 760 mmHg; (14)Vapour Pressure: 3.4E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N3CCN(c2ccc(B1OC(C)(C)C(O1)(C)C)cc2)CC3
2.InChI: InChI=1/C21H33BN2O4/c1-19(2,3)26-18(25)24-14-12-23(13-15-24)17-10-8-16(9-11-17)22-27-20(4,5)21(6,7)28-22/h8-11H,12-15H2,1-7H3 3.InChIKey: ZMAVVXGWEHZLDW-UHFFFAOYAJ