6-Pivalamidopyridine-3-boronic acid pinacol ester supplier

Name
6-Pivalamidopyridine-3-boronic acid pinacol ester
EINECS
CAS No. 1092119-20-4
Density 1.105 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₇BN₂O₄
Boiling Point
Molecular Weight 304.197
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [6-(2,2-Dimethylpropanoylamino)-3-pyridyl]-(2-hydroxy-1,1,2-trimethyl-propoxy)borinic acid;
PSA 63.94000
LogP 3.01490

6-Pivalamidopyridine-3-boronic acid pinacol ester Specification

The 6-Pivalamidopyridine-3-boronic acid pinacol ester has the CAS registry number 1092119-20-4. This chemical's molecular formula is C₁₆H₂₇BN₂O₄ and molecular weight is 322.21. What's more, its systematic name is [6-(2,2-Dimethylpropanoylamino)-3-pyridyl]-(2-hydroxy-1,1,2-trimethyl-propoxy)borinic acid.

Physical properties of 6-Pivalamidopyridine-3-boronic acid pinacol ester are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.836; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 14.253; (6)ACD/BCF (pH 7.4): 1.691; (7)ACD/KOC (pH 5.5): 226.144; (8)ACD/KOC (pH 7.4): 26.831; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 91.68 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 87.548 cm³; (15)Molar Volume: 291.597 cm³; (16)Polarizability: 34.707×10^-24cm³; (17)Surface Tension: 43.496 dyne/cm; (18)Density: 1.105 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)NC(=O)C(C)(C)C)(O)OC(C)(C)C(C)(C)O
(2)InChI: InChI=1S/C16H27BN2O4/c1-14(2,3)13(20)19-12-9-8-11(10-18-12)17(22)23-16(6,7)15(4,5)21/h8-10,21-22H,1-7H3,(H,18,19,20)
(3)InChIKey: HQGHSPYYDKGTDM-UHFFFAOYSA-N

Product Name

6-Pivalamidopyridine-3-boronic acid pinacol ester

6-Pivalamidopyridine-3-boronic acid pinacol ester Specification

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