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Formamide,N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-

Formamide,N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-

Name: Formamide,N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
Brand: BOC Sciences
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Molecular Formula:

C13H18 B N O3

Molecular Weight:

247.1

CAS Number:

480425-37-4

Catalog Number:

480425-37-4

Product Information

Molecular Formula:

C13H18 B N O3

Molecular Weight:

247.1

Description

Formamide, N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is an extensively employed compound in the field of biomedicine. With its profound involvement in the critical facets of target validation and drug discovery encompassing diverse ailments, this compound assumes paramount importance. Its presence undeniably contributes to the exploration, identification, and appraisal of potential pharmaceutical agents and therapeutic techniques, thereby fostering advancements in medicine.

Synonyms

3-FORMYLAMINO-PHENYLBORONIC ACID, PINACOL ESTER; N-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]FORMAMIDE; 3-formamidophenylboronic acid pinacol ester; N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl); 3-Formamidophenylboronic acid pinacol est

IUPAC Name

N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC=O

InChI

InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11(8-10)15-9-16/h5-9H,1-4H3,(H,15,16)

InChI Key

NYDQNRBQQQKVKY-UHFFFAOYSA-N

Melting Point

96-100 °C (lit.)

Flash Point

Not applicable

Purity

95%

Density

1.09g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

247.1379736 g/mol

Monoisotopic Mass

247.1379736 g/mol

Topological Polar Surface Area

47.6Å²

Heavy Atom Count

Formal Charge

Complexity

303

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Formamide,N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-

Product Information

Computed Properties

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