Name: (4-Benzyloxycarbonylaminophenyl)boronic acid, pinacol ester
SKU: 363186-06-5

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Basic Information

Molecular Structure:
CAS No.:	363186-06-5
Name:	(4-Benzyloxycarbonylaminophenyl)boronic acid, pinacol ester

Formula:	C₂₀H₂₄BNO₄
Molecular Weight:	353.226
Synonyms:	4-[(Benzyloxycarbonyl)amino]phenylboronic acid pincol ester;benzyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;4-{[(Benzyloxy)carbonyl]amino}benzeneboronic acid, pinacol ester;
Density:	1.14 g/cm³
Melting Point:	113-115°C
Boiling Point:	451.7 °C at 760 mmHg
Flash Point:	227 °C
PSA:	56.79000
LogP:	3.80750

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Specification

The (4-Benzyloxycarbonylaminophenyl)boronic acid, pinacol ester, with the CAS registry number 363186-06-5, has the systmatic name of benzyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate. It belongs to the following product categories: Amines; Blocks; Boronic Acids. And the molecular formula of the chemical is C₂₀H₂₄BNO₄.

The characteristics of (4-Benzyloxycarbonylaminophenyl)boronic acid, pinacol ester are as followings: (1)#H bond acceptors: 5; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 48 Å²; (5)Index of Refraction: 1.556; (6)Molar Refractivity: 98.93 cm³; (7)Molar Volume: 307.3 cm³; (8)Polarizability: 39.22×10^-24cm³; (9)Surface Tension: 43.1 dyne/cm; (10)Density: 1.14 g/cm³; (11)Flash Point: 227 °C; (12)Enthalpy of Vaporization: 71.08 kJ/mol; (13)Boiling Point: 451.7 °C at 760 mmHg; (14)Vapour Pressure: 2.39E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCc1ccccc1)Nc3ccc(B2OC(C)(C)C(O2)(C)C)cc3
(2)InChI: InChI=1/C20H24BNO4/c1-19(2)20(3,4)26-21(25-19)16-10-12-17(13-11-16)22-18(23)24-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,22,23)
(3)InChIKey: INBLGLWXMBCHFV-UHFFFAOYAS