CAS No.1072944-99-0,2-TERT-BUTYLOXYCARBONYLAMINOPYRIDINE-3-BORONIC ACID PINACOL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1072944-99-0
Name:	2-TERT-BUTYLOXYCARBONYLAMINOPYRIDINE-3-BORONIC ACID PINACOL ESTER

Formula:	C₁₆H₂₅BN₂O₄
Molecular Weight:	320.196
Synonyms:	2-TERT-BUTYLOXYCARBONYLAMINOPYRIDINE-3-BORONIC ACID PINACOL ESTER;TERT-BUTYL [3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]CARBAMATE;2-(N-Boc-lamino)pyridine-3-boronic acid,pinacol ester;Boc-2-Aminopyridine-3-boronic acid pinacol ester;tert-Butyl N-[3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbaMate;N-[3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbaMate;2-(N-Boc-amino)pyridine-3-boronic acid pinacol ester 2-(tert-Butoxycarbonylamino)pyridine-3-boronic acid pinacol ester
Density:	1.1 g/cm³
Boiling Point:	397 °C at 760 mmHg
Flash Point:	193.9 °C
PSA:	69.68000
LogP:	2.80080

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Specification

The 2-(N-Boc-lamino)pyridine-3-boronic acid pinacol ester is an organi c ompound with the formula C₁₆H₂₅BN₂O₄. The systematic name of this chemical is tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]carbamate. With the CAS registry number 1072944-99-0, it is also named as carbamic acid, N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester. In addition, the molecular weight 320.19.

The other characteristics of 2-(N-Boc-lamino)pyridine-3-boronic acid pinacol ester can be summarized as: (1)#H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 69.68 Å²; (5)Index of Refraction: 1.503; (6)Molar Refractivity: 85.91 cm³; (7)Molar Volume: 290.2 cm³; (8)Polarizability: 34.06×10^-24 cm³; (9)Surface Tension: 39.1 dyne/cm; (10)Density: 1.1 g/cm³; (11)Flash Point: 193.9 °C; (12)Enthalpy of Vaporization: 64.73 kJ/mol; (13)Boiling Point: 397 °C at 760 mmHg; (14)Vapour Pressure: 1.64E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:CC1(C)OB(OC1(C)C)c2cccnc2NC(=O)OC(C)(C)C
2. InChI:InChI=1/C16H25BN2O4/c1-14(2,3)21-13(20)19-12-11(9-8-10-18-12)17-22-15(4,5)16(6,7)23-17/h8-10H,1-7H3,(H,18,19,20)
3. InChIKey:FYKIZSWVZIHFLF-UHFFFAOYAB
4. Std. InChI:InChI=1S/C16H25BN2O4/c1-14(2,3)21-13(20)19-12-11(9-8-10-18-12)17-22-15(4,5)16(6,7)23-17/h8-10H,1-7H3,(H,18,19,20)
5. Std. InChIKey:FYKIZSWVZIHFLF-UHFFFAOYSA-N