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Name |
Boronicacid, B-[4-[[ethyl(phenylmethyl)amino]carbonyl]phenyl]- |
EINECS | N/A |
CAS No. | 913835-41-3 | Density | 1.2 g/cm3 |
PSA | 60.77000 | LogP | 1.02870 |
Solubility | N/A | Melting Point |
140-145℃ |
Formula | C16H18BNO3 | Boiling Point | 518.3 °C at 760 mmHg |
Molecular Weight | 283.13002 | Flash Point | 267.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [4-[[ethyl(phenylmethyl)amino]carbonyl]phenyl]- (9CI); |
The Boronicacid, B-[4-[[ethyl(phenylmethyl)amino]carbonyl]phenyl]-, with CAS registry number 913835-41-3, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-[benzyl(ethyl)carbamoyl]phenyl]boronic acid. And the chemical formula of this chemical is C16H18BNO3.
Physical properties of Boronicacid, B-[4-[[ethyl(phenylmethyl)amino]carbonyl]phenyl]-: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.02; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 60.77 Å2; (9)Index of Refraction: 1.598; (10)Molar Refractivity: 80.51 cm3; (11)Molar Volume: 235.8 cm3; (12)Polarizability: 31.91×10-24cm3; (13)Surface Tension: 52.7 dyne/cm; (14)Density: 1.2 g/cm3; (15)Flash Point: 267.2 °C; (16)Enthalpy of Vaporization: 83.25 kJ/mol; (17)Boiling Point: 518.3 °C at 760 mmHg; (18)Vapour Pressure: 1.44E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)N(CC)Cc2ccccc2)(O)O
(2)InChI: InChI=1/C16H18BNO3/c1-2-18(12-13-6-4-3-5-7-13)16(19)14-8-10-15(11-9-14)17(20)21/h3-11,20-21H,2,12H2,1H3
(3)InChIKey: JXQDQZJKWVFJKV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C16H18BNO3/c1-2-18(12-13-6-4-3-5-7-13)16(19)14-8-10-15(11-9-14)17(20)21/h3-11,20-21H,2,12H2,1H3
(5)Std. InChIKey: JXQDQZJKWVFJKV-UHFFFAOYSA-N