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Cas Database |
| Name |
N-Boc-3,4-Dihydropyridine-6-boronic acid pinacol ester |
EINECS | N/A |
| CAS No. | 865245-32-5 | Density | 1.055 g/cm3 |
| PSA | 48.00000 | LogP | 3.47050 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C16H28BNO4 | Boiling Point | 355.192 °C at 760 mmHg |
| Molecular Weight | 309.214 | Flash Point | 168.614 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N-Boc-3,4-Dihydropyridine-6-boronic acid pinacol ester; |
Article Data | 2 |
N-Boc-3,4-Dihydropyridine-6-boronic acid pinacol ester Specification
The N-Boc-3,4-Dihydropyridine-6-boronic acid pinacol ester with its cas register number is 865245-32-5. It also can be called as 3,4-Dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinecarboxylic acid tert butyl ester and the Systematic name about this chemical is tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate.
Physical properties about N-Boc-3,4-Dihydropyridine-6-boronic acid pinacol ester are: (1)#H bond acceptors: 5; (2)#Freely Rotating Bonds: 3; (3)Polar Surface Area: 48Å2; (4)Index of Refraction: 1.488; (5)Molar Refractivity: 84.439 cm3; (6)Molar Volume: 292.996 cm3; (7)Polarizability: 33.474x10-24cm3; (8)Surface Tension: 34.724 dyne/cm; (9)Enthalpy of Vaporization: 60.031 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2C(\B1OC(C)(C)C(O1)(C)C)=C/CCC2
(2)InChI: InChI=1/C16H28BNO4/c1-14(2,3)20-13(19)18-11-9-8-10-12(18)17-21-15(4,5)16(6,7)22-17/h10H,8-9,11H2,1-7H3
(3)InChIKey: LEQQJEMLERIVAW-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-11-9-8-10-12(18)17-21-15(4,5)16(6,7)22-17/h10H,8-9,11H2,1-7H3
(5)Std. InChIKey: LEQQJEMLERIVAW-UHFFFAOYSA-N
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