6-Isopropylpyridine-3-boronic acid pinacol ester supplier

Name
6-Isopropylpyridine-3-boronic acid pinacol ester
EINECS
CAS No. 1105665-37-9
Article Data1
CAS DataBase
Density 1.041 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₄BNO₃
Boiling Point 368.623 °C at 760 mmHg
Molecular Weight 247.16
Flash Point 176.737 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-Hydroxy-1,1,2-trimethyl-propoxy)-(6-isopropyl-3-pyridyl)borinic acid;
PSA 31.35000
LogP 2.50420

6-Isopropylpyridine-3-boronic acid pinacol ester Specification

The 6-Isopropylpyridine-3-boronic acid pinacol ester has the CAS registry number 1105665-37-9. This chemical's molecular formula is C₁₄H₂₄BNO₃ and molecular weight is 265.16. What's more, its systematic name is (2-Hydroxy-1,1,2-trimethyl-propoxy)-(6-isopropyl-3-pyridyl)borinic acid.

Physical properties of 6-Isopropylpyridine-3-boronic acid pinacol ester are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.374; (4)ACD/LogD (pH 7.4): 1.533; (5)ACD/BCF (pH 5.5): 33.216; (6)ACD/BCF (pH 7.4): 4.797; (7)ACD/KOC (pH 5.5): 370.094; (8)ACD/KOC (pH 7.4): 53.45; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 62.58 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 74.488 cm³; (15)Molar Volume: 254.808 cm³; (16)Polarizability: 29.529×10^-24cm³; (17)Surface Tension: 39.047 dyne/cm; (18)Density: 1.041 g/cm³; (19)Flash Point: 176.737 °C; (20)Enthalpy of Vaporization: 64.916 kJ/mol; (21)Boiling Point: 368.623 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)C(C)C)(O)OC(C)(C)C(C)(C)O
(2)InChI: InChI=1S/C14H24BNO3/c1-10(2)12-8-7-11(9-16-12)15(18)19-14(5,6)13(3,4)17/h7-10,17-18H,1-6H3
(3)InChIKey: ACNZVVAFEJTMCA-UHFFFAOYSA-N

Product Name

6-Isopropylpyridine-3-boronic acid pinacol ester

6-Isopropylpyridine-3-boronic acid pinacol ester Specification

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