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