2-(Morpholino)pyrimidin-5-ylboronic acid pinacol ester supplier

Name
2-(4-MORPHOLINO)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER
EINECS
CAS No. 957198-30-0
Article Data3
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₂BN₃O₃
Boiling Point 453.4 °C at 760 mmHg
Molecular Weight 291.158
Flash Point 228 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]morpholine;2-(4-Morpholino)pyrimidine-5-boronic acid pinacol ester;2-Morpholino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;
PSA 56.71000
LogP 0.67740

2-(Morpholino)pyrimidin-5-ylboronic acid pinacol ester Specification

The Morpholine, 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-, with the CAS registry number 957198-30-0, is also known as 2-Morpholino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine. It belongs to the product categories of Organoborons; Pyrimidine. This chemical's molecular formula is C₁₄H₂₂BN₃O₃ and molecular weight is 291.15. What's more, its systematic name is 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]morpholine.

Physical properties of Morpholine, 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]- are: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 56.71 Å²; (5)Index of Refraction: 1.53; (6)Molar Refractivity: 77.15 cm³; (7)Molar Volume: 249.6 cm³; (8)Polarizability: 30.58×10^-24cm³; (9)Surface Tension: 45.6 dyne/cm; (10)Density: 1.16 g/cm³; (11)Flash Point: 228 °C; (12)Enthalpy of Vaporization: 71.28 kJ/mol; (13)Boiling Point: 453.4 °C at 760 mmHg; (14)Vapour Pressure: 2.07E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2cc(B1OC(C)(C)C(O1)(C)C)cnc2N3CCOCC3
(2)Std. InChI: InChI=1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)11-9-16-12(17-10-11)18-5-7-19-8-6-18/h9-10H,5-8H2,1-4H3
(3)Std. InChIKey: HNVAYPJNFUXYII-UHFFFAOYSA-N

Product Name

2-(4-MORPHOLINO)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER

2-(Morpholino)pyrimidin-5-ylboronic acid pinacol ester Specification

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