Boronic acid,B-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]- supplier

Name
4-[N-ISOPROPYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 98
EINECS
CAS No. 913835-96-8
Density 1.29 g/cm³
Solubility
Melting Point 114-116°C
Formula C₁₇H₂₂BNO₅S
Boiling Point 554.8 °C at 760 mmHg
Molecular Weight 363.242
Flash Point 289.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronic acid,[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]-(9CI);
PSA 95.45000
LogP 2.05510

Boronic acid,B-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]- Specification

The Boronic acid,B-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]-, with CAS registry number 913835-96-8, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-[isopropyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid. And the chemical formula of this chemical is C₁₇H₂₂BNO₅S.

Physical properties of Boronic acid,B-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]-: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.26; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 9; (8)Polar Surface Area: 95.45 Å²; (9)Index of Refraction: 1.596; (10)Molar Refractivity: 95.56 cm³; (11)Molar Volume: 280.5 cm3; (12)Polarizability: 37.88×10^-24cm³; (13)Surface Tension: 55.7 dyne/cm; (14)Enthalpy of Vaporization: 87.97 kJ/mol; (15)Vapour Pressure: 3.82E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2)OC)C(C)C)(O)O
(2)InChI: InChI=1/C17H22BNO5S/c1-13(2)19(12-14-4-8-16(24-3)9-5-14)25(22,23)17-10-6-15(7-11-17)18(20)21/h4-11,13,20-21H,12H2,1-3H3
(3)InChIKey: YCTUMPATZIWTLB-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C17H22BNO5S/c1-13(2)19(12-14-4-8-16(24-3)9-5-14)25(22,23)17-10-6-15(7-11-17)18(20)21/h4-11,13,20-21H,12H2,1-3H3
(5)Std. InChIKey: YCTUMPATZIWTLB-UHFFFAOYSA-N

Product Name

4-[N-ISOPROPYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 98

Boronic acid,B-[4-[[[(4-methoxyphenyl)methyl](1-methylethyl)amino]sulfonyl]phenyl]- Specification

Related Products

Hot Products