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827614-68-6

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Basic Information
CAS No.: 827614-68-6
Name: 4-(N-CYCLOPROPYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER
Article Data: 3
Molecular Structure:
Molecular Structure of 827614-68-6 (4-(N-CYCLOPROPYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER)
Formula: C16H22BNO3
Molecular Weight: 287.167
Synonyms: N-Cyclopropyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzamide;
Density: 1.11 g/cm3
Melting Point: 212-214 °C
Boiling Point: 444.1 °C at 760 mmHg
Flash Point: 222.4 °C
PSA: 47.56000
LogP: 2.26890
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Specification

The Benzamide,N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 827614-68-6, is also known as 4-(N-Cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester. It belongs to the product category of Heterocyclic Compounds. This chemical's molecular formula is C16H22BNO3 and molecular weight is 287.16. What's more, both its IUPAC name and systematic name are the same which is called N-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Physical properties about Benzamide,N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 38.77 Å2; (5)Index of Refraction: 1.533; (6)Molar Refractivity: 79.67 cm3; (7)Molar Volume: 256.4 cm3; (8)Surface Tension: 39.3 dyne/cm; (9)Density: 1.11 g/cm3; (10)Flash Point: 222.4 °C; (11)Enthalpy of Vaporization: 70.18 kJ/mol; (12)Boiling Point: 444.1 °C at 760 mmHg; (13)Vapour Pressure: 4.4E-08 mmHg at 25 °C; (14)Melting Point: 212-214 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC1CC1)c3ccc(B2OC(C)(C)C(O2)(C)C)cc3
(2) InChI: InChI=1/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-5-11(6-8-12)14(19)18-13-9-10-13/h5-8,13H,9-10H2,1-4H3,(H,18,19)
(3) InChIKey: PXTNJXLWXIJJIM-UHFFFAOYAD