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CAS No.: | 850589-34-3 |
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Name: | 4-(2-METHOXYETHYLAMINOCARBONYL)BENZENEBORONIC ACID |
Molecular Structure: | |
Formula: | C10H14BNO4 |
Molecular Weight: | 223.03 |
Synonyms: | Boronicacid, [4-[[(2-methoxyethyl)amino]carbonyl]phenyl]- (9CI);4-(2-Methoxyethylaminocarbonyl)phenylboronicacid;4-(2-Methoxyethylaminocarbonyl)benzeneboronic acid; |
Density: | 1.21 g/cm3 |
Melting Point: | 120-124 ºC |
Hazard Symbols: | Xi |
PSA: | 78.79000 |
LogP: | -0.86650 |
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The Boronic acid,B-[4-[[(2-methoxyethyl)amino]carbonyl]phenyl]-, with the CAS registry number 850589-34-3, is also known as 4-(2-Methoxyethylaminocarbonyl)benzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C10H14BNO4 and molecular weight is 223.03. What's more, its systematic name is [4-(2-methoxyethylcarbamoyl)phenyl]boronic acid.
Physical properties of Boronic acid,B-[4-[[(2-methoxyethyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.17; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 78.79 Å2; (9)Index of Refraction: 1.536; (10)Molar Refractivity: 57.31 cm3; (11)Molar Volume: 183.6 cm3; (12)Polarizability: 22.72×10-24cm3; (13)Surface Tension: 48.2 dyne/cm; (14)Density: 1.21 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)NCCOC)(O)O
(2)InChI: InChI=1S/C10H14BNO4/c1-16-7-6-12-10(13)8-2-4-9(5-3-8)11(14)15/h2-5,14-15H,6-7H2,1H3,(H,12,13)
(3)InChIKey: QRGVHOKYRIQQTN-UHFFFAOYSA-N