Boronic acid, B-[3-[[cyclopropyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]- supplier

Name
3-[N-CYCLOPROPYL-N-(4-METHOXYBENZYL)SULFAMOYL]PHENYLBORONIC ACID
EINECS
CAS No. 913836-07-4
Density 1.37g/cm³
Solubility
Melting Point
Formula C₁₇H₂₀BNO₅S
Boiling Point 596.8 °C at 760 mmHg
Molecular Weight 361.2204
Flash Point 314.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronic acid, [3-[[cyclopropyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]- (9CI);
PSA 95.45000
LogP 1.80910

Boronic acid, B-[3-[[cyclopropyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]- Specification

The Boronic acid, B-[3-[[cyclopropyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]-, with CAS registry number 913836-07-4, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [3-[cyclopropyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid. And the chemical formula of this chemical is C₁₇H₂₀BNO₅S.

Physical properties of Boronic acid, B-[3-[[cyclopropyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]-: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.61; (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: 1.633; (10)Molar Refractivity: 93.52 cm³; (11)Molar Volume: 261.7 cm³; (12)Polarizability: 37.07×10^-24cm³; (13)Surface Tension: 62.8 dyne/cm; (14)Density: 1.37 g/cm³; (15)Flash Point: 314.7 °C; (16)Enthalpy of Vaporization: 93.49 kJ/mol; (17)Boiling Point: 596.8 °C at 760 mmHg; (18)Vapour Pressure: 4.34E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)S(=O)(=O)N(Cc2ccc(cc2)OC)C3CC3)(O)O
(2)InChI: InChI=1/C17H20BNO5S/c1-24-16-9-5-13(6-10-16)12-19(15-7-8-15)25(22,23)17-4-2-3-14(11-17)18(20)21/h2-6,9-11,15,20-21H,7-8,12H2,1H3
(3)InChIKey: SEQRSOGIBTXUHT-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C17H20BNO5S/c1-24-16-9-5-13(6-10-16)12-19(15-7-8-15)25(22,23)17-4-2-3-14(11-17)18(20)21/h2-6,9-11,15,20-21H,7-8,12H2,1H3
(5)Std. InChIKey: SEQRSOGIBTXUHT-UHFFFAOYSA-N

Product Name

3-[N-CYCLOPROPYL-N-(4-METHOXYBENZYL)SULFAMOYL]PHENYLBORONIC ACID

Boronic acid, B-[3-[[cyclopropyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]- Specification

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