-
Name
1,2,3,6-TETRAHYDROPYRIDINE-4-YL-BORONIC ACID PINACOL ESTER
- EINECS
- CAS No. 375853-82-0
- Article Data67
- CAS DataBase
- Density 0.99 g/cm3
- Solubility
- Melting Point
- Formula C11H20BNO2
- Boiling Point 246 °C at 760 mmHg
- Molecular Weight 209.09
- Flash Point 102.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,2,3,6-TETRAHYDROPYRIDINE-4-YL-BORONIC ACID PINACOL ESTER;1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;1,2,3,6-Tetrahydropyridine-4-boronic acid pinacol ester;Pyridine, 1,2,3,6-tetrahydro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-;4-(4,4,5,5-TetraMethyl-[1,3,2]dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
- PSA 30.49000
- LogP 1.86630
1,2,3,6-Tetrahydropyridine-4-boronic acid pinacol ester Specification
The 1,2,3,6-Tetrahydropyridine-4-boronic acid pinacol ester is an organic compound with the formula C11H20BNO2. The systematic name of this chemical is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine. With the CAS registry number 375853-82-0, it is also named as 1,2,3,6-Tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine. The molecular weight is 209.09.
The other characteristics of 1,2,3,6-Tetrahydropyridine-4-boronic acid pinacol ester can be summarized as: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 30.49 Å2; (5)Index of Refraction: 1.477; (6)Molar Refractivity: 59.19 cm3; (7)Molar Volume: 209.1 cm3; (8)Polarizability: 23.46×10-24 cm3; (9)Surface Tension: 30.3 dyne/cm; (10)Density: 0.99 g/cm3; (11)Flash Point: 102.6 °C; (12)Enthalpy of Vaporization: 48.31 kJ/mol; (13)Boiling Point: 246 °C at 760 mmHg; (14)Vapour Pressure: 0.0278 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:CC1(C)OB(OC1(C)C)C=2CCNCC=2
2. InChI:InChI=1/C11H20BNO2/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5,13H,6-8H2,1-4H3
3. InChIKey:AIPUNCFCQBDNDJ-UHFFFAOYAD
4. Std. InChI:InChI=1S/C11H20BNO2/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5,13H,6-8H2,1-4H3
5. Std. InChIKey:AIPUNCFCQBDNDJ-UHFFFAOYSA-N
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