Boronic acid,B-[4-[[(phenylmethyl)amino]carbonyl]phenyl]- supplier

Name
4-(N-BENZYLAMINOCARBONYL)PHENYLBORONIC ACID
EINECS
CAS No. 252663-47-1
Density 1.24 g/cm³
Solubility
Melting Point 212-218 °C
Formula C₁₄H₁₄BNO₃
Boiling Point
Molecular Weight 255.08
Flash Point
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-[[(phenylmethyl)amino]carbonyl]phenyl]- (9CI);[4-[[(Phenylmethyl)amino]carbonyl]phenyl]boronic acid;
PSA 69.56000
LogP 0.68730

Boronic acid,B-[4-[[(phenylmethyl)amino]carbonyl]phenyl]- Specification

The Boronic acid,B-[4-[[(phenylmethyl)amino]carbonyl]phenyl]- is an organic compound with the formula C₁₄H₁₄BNO₃. The IUPAC name of this chemical is [4-(benzylcarbamoyl)phenyl]boronic acid. With the CAS registry number 252663-47-1, it is also named as 4-(N-Benzylaminocarbonyl)phenylboronic acid. The product's categories are Blocks; BoronicAcids; Aryl; Organoborons.

Physical properties about Boronic acid,B-[4-[[(phenylmethyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 2.32; (3)ACD/LogD (pH 7.4): 2.24; (4)ACD/BCF (pH 5.5): 33.9; (5)ACD/BCF (pH 7.4): 28.22; (6)ACD/KOC (pH 5.5): 433.13; (7)ACD/KOC (pH 7.4): 360.62; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 38.77 Å²; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 71.02 cm³; (14)Molar Volume: 204.4 cm³; (15)Polarizability: 28.15×10^-24cm³; (16)Surface Tension: 55.1 dyne/cm; (17)Density: 1.24 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCc1ccccc1)c2ccc(B(O)O)cc2
(2)InChI: InChI=1/C14H14BNO3/c17-14(16-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(18)19/h1-9,18-19H,10H2,(H,16,17)
(3)InChIKey: AAUCAVUVHBOOPF-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C14H14BNO3/c17-14(16-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(18)19/h1-9,18-19H,10H2,(H,16,17)
(5)Std. InChIKey: AAUCAVUVHBOOPF-UHFFFAOYSA-N

Product Name

4-(N-BENZYLAMINOCARBONYL)PHENYLBORONIC ACID

Boronic acid,B-[4-[[(phenylmethyl)amino]carbonyl]phenyl]- Specification

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