Phenylboronic acid N-butyldiethanolamine ester
Product Information
Molecular Formula
C14H22BNO2
Molecular Weight
247.14
Description
Phenylboronic acid N-butyldiethanolamine ester is a highly versatile compound used in the biomedicine industry. This product is commonly employed as a reactant for the synthesis of various drugs targeted for the treatment of diseases such as cancer, diabetes, and arthritis. With its unique chemical properties, it serves as a valuable tool in pharmaceutical research for developing innovative therapeutic solutions.
Synonyms
6-Butyl-2-phenyl-1,3,6,2-dioxazaborocane
IUPAC Name
6-butyl-2-phenyl-1,3,6,2-dioxazaborocane
SMILES
B1(OCCN(CCO1)CCCC)C2=CC=CC=C2
InChI
InChI=1S/C14H22BNO2/c1-2-3-9-16-10-12-17-15(18-13-11-16)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3
InChI Key
XBJLGTGASXIEFZ-UHFFFAOYSA-N
Melting Point
126-130 °C
Purity
97%
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
247.1743591 g/mol
Monoisotopic Mass
247.1743591 g/mol
Topological Polar Surface Area
21.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
212
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 3821 | 1975-09-01 | [Automatic method for determination of serum antistreptolysin] | Quaderni Sclavo di diagnostica clinica e di laboratorio |
