Butanoic acid,4-[(4-boronophenyl)amino]-4-oxo- supplier

Name
N-(4-PHENYLBORONIC)SUCCINAMIC ACID
EINECS
CAS No. 480424-95-1
Density 1.37 g/cm³
Solubility
Melting Point 165-169 °C
Formula C₁₀H₁₂BNO₅
Boiling Point
Molecular Weight 237.02
Flash Point
Transport Information
Appearance Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-{[4-(Dihydroxyboranyl)phenyl]amino}-4-oxobutanoic acid;N-(4-Phenylboronic)succinamic acid;4-(4-Boronoanilino)-4-oxobutanoic acid;4-{[4-(Dihydroxyboryl)phenyl]amino}-4-oxobutanoic acid;
PSA 106.86000
LogP -0.75730

Butanoic acid,4-[(4-boronophenyl)amino]-4-oxo- Specification

The Butanoic acid,4-[(4-boronophenyl)amino]-4-oxo-, with the CAS registry number of 480424-95-1, is also known as N-(4-Phenylboronic)succinamic acid. It belongs to the product categories of Boronicacid; Aryl;Boronic Acids; Boronic Acids and Derivatives. The molecular formula of this chemical is C₁₀H₁₂BNO₅ and its molecular weight is 237.02. What's more, its IUPAC name is 4-(4-Boronoanilino)-4-oxobutanoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Butanoic acid,4-[(4-boronophenyl)amino]-4-oxo- are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.82; (4)ACD/LogD (pH 7.4): -2.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.74; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 65.07 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 57.22 cm³; (15)Molar Volume: 171.9 cm³; (16)Polarizability: 22.68×10^-24 cm³; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.37 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccc(cc1)B(O)O)CCC(=O)O
(2) InChI: InChI=1/C10H12BNO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4,16-17H,5-6H2,(H,12,13)(H,14,15)
(3) InChIKey: VYUCUZOJUHAJLU-UHFFFAOYAR

Product Name

N-(4-PHENYLBORONIC)SUCCINAMIC ACID

Butanoic acid,4-[(4-boronophenyl)amino]-4-oxo- Specification

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