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| CAS No.: | 182344-22-5 |
|---|---|
| Name: | 4-PIVALAMIDOPHENYLBORONIC ACID |
| Molecular Structure: | |
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|
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| Formula: | C11H16BNO3 |
| Molecular Weight: | 221.06 |
| Synonyms: | 4-Pivalamidophenylboronic acid;4-Pivalamidobenzeneboronic acid;4-[(2,2-Dimethylpropanoyl)amino]benzeneboronic acid;{4-[(2,2-Dimethylpropanoyl)amino]phenyl}boronic acid; |
| Density: | 1.139 g/cm3 |
| Melting Point: | 240-243 |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant/Keep Cold; Xi:Irritant/Keep Cold; |
| PSA: | 69.56000 |
| LogP: | 0.42400 |
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- Total:23 Page 1 of 1 1
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Specification
The Boronic acid,B-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-, with the CAS registry number 182344-22-5, is also known as 4-Pivalamidophenylboronic acid. It belongs to the product categories of Amines; Blocks; Boronic Acids. This chemical's molecular formula is C11H16BNO3 and molecular weight is 221.06. What's more, its systematic name is {4-[(2,2-Dimethylpropanoyl)amino]phenyl}boronic acid.
Physical properties of Boronic acid,B-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]- are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 196; (8)ACD/KOC (pH 7.4): 186; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 69.56 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 60.21 cm3; (15)Molar Volume: 194.163 cm3; (16)Polarizability: 23.869×10-24 cm3; (17)Surface Tension: 43.968 dyne/cm; (18)Density: 1.139 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(NC(=O)C(C)(C)C)cc1
(2)InChI: InChI=1S/C11H16BNO3/c1-11(2,3)10(14)13-9-6-4-8(5-7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
(3)InChIKey: ORNCMGDXLWQRHH-UHFFFAOYSA-N