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Boronicacid, B-[4-[[ethyl(phenylmethyl)amino]carbonyl]phenyl]-

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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 Molecular Structure of 913835-41-3 (4-(BENZYL(ETHYL)CARBAMOYL)PHENYLBORONIC ACID) Hazard Symbols Xi
Synonyms

Boronicacid, [4-[[ethyl(phenylmethyl)amino]carbonyl]phenyl]- (9CI);

 

Boronicacid, B-[4-[[ethyl(phenylmethyl)amino]carbonyl]phenyl]- Specification

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

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