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CAS No.: | 910462-31-6 |
---|---|
Name: | 2-(tert-butoxycarbonylamino)pyridine-5-boronic acid, pinacol ester |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C16H25BN2O4 |
Molecular Weight: | 320.196 |
Synonyms: | Carbamicacid, [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-,1,1-dimethylethyl ester (9CI);2-Methylpropan-2-yl[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate;[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-2-yl]carbamic acidtert-butyl ester; |
Density: | 1.1g/cm3 |
Boiling Point: | 394.5 °C at 760 mmHg |
Flash Point: | 192.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 69.68000 |
LogP: | 2.80080 |
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The Carbamic acid,N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-,1,1-dimethylethyl ester, with CAS registry number 910462-31-6, has the systematic name of tert-butyl [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate. And the chemical formula of this chemical is C16H25BN2O4.
Physical properties of Carbamic acid,N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-,1,1-dimethylethyl ester: (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: 34.06×10-24cm3; (9)Surface Tension: 39.1 dyne/cm; (10)Enthalpy of Vaporization: 64.45 kJ/mol; (11)Vapour Pressure: 1.97E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2ccc(NC(=O)OC(C)(C)C)nc2
(2)InChI: InChI=1/C16H25BN2O4/c1-14(2,3)21-13(20)19-12-9-8-11(10-18-12)17-22-15(4,5)16(6,7)23-17/h8-10H,1-7H3,(H,18,19,20)
(3)InChIKey: USZVCDRKIVKICD-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C16H25BN2O4/c1-14(2,3)21-13(20)19-12-9-8-11(10-18-12)17-22-15(4,5)16(6,7)23-17/h8-10H,1-7H3,(H,18,19,20)
(5)Std. InChIKey: USZVCDRKIVKICD-UHFFFAOYSA-N