Boronic acid,B-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- supplier

Name
3-(BENZYL(METHYL)CARBAMOYL)PHENYLBORONIC ACID
EINECS
CAS No. 874460-01-2
Density 1.22 g/cm³
Solubility
Melting Point 127-130℃
Formula C₁₅H₁₆BNO₃
Boiling Point 524 °C at 760 mmHg
Molecular Weight 269.10344
Flash Point 270.7 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- (9CI);
PSA 60.77000
LogP 0.63860

Boronic acid,B-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- Specification

The Boronic acid,B-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- is an organic compound with the formula C₁₅H₁₆BNO₃. The systematic name of this chemical is [3-[benzyl(methyl)carbamoyl]phenyl]boronic acid. With the CAS registry number 874460-01-2, it is also named as 3-[N-Benzyl-N-(methylaminocarbonyl)]benzeneboronic acid. The product's categories are Blocks; BoronicAcids.

Physical properties about Boronic acid,B-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 1.42; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 6; (7)Polar Surface Area: 60.77 Å²; (8)Index of Refraction: 1.607; (9)Molar Refractivity: 75.88 cm³; (10)Molar Volume: 219.5 cm³; (11)Polarizability: 30.08×10^-24cm³; (12)Surface Tension: 54 dyne/cm; (13)Density: 1.22 g/cm³; (14)Flash Point: 270.7 °C; (15)Enthalpy of Vaporization: 83.99 kJ/mol; (16)Boiling Point: 524 °C at 760 mmHg; (17)Vapour Pressure: 8.25E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)C(=O)N(C)Cc2ccccc2)(O)O
(2)InChI: InChI=1/C15H16BNO3/c1-17(11-12-6-3-2-4-7-12)15(18)13-8-5-9-14(10-13)16(19)20/h2-10,19-20H,11H2,1H3
(3)InChIKey: SZEATPHXIPBXGU-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C15H16BNO3/c1-17(11-12-6-3-2-4-7-12)15(18)13-8-5-9-14(10-13)16(19)20/h2-10,19-20H,11H2,1H3
(5)Std. InChIKey: SZEATPHXIPBXGU-UHFFFAOYSA-N

Product Name

3-(BENZYL(METHYL)CARBAMOYL)PHENYLBORONIC ACID

Boronic acid,B-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]- Specification

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