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3-(Aminomethyl)phenylboronic Acid Pinacol Ester Hydrochloride

3-(Aminomethyl)phenylboronic Acid Pinacol Ester Hydrochloride

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Molecular Formula:

C13H21ClNO2B

Molecular Weight:

269.58

CAS Number:

380430-65-9

Catalog Number:

380430-65-9

Product Information

Molecular Formula:

C13H21ClNO2B

Molecular Weight:

269.58

Description

3-(Aminomethyl)phenylboronic Acid Pinacol Ester Hydrochloride (CAS# 380430-65-9) is a useful research chemical.

Synonyms

[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride; [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride

IUPAC Name

[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CN.Cl

InChI

InChI=1S/C13H20BNO2.ClH/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15;/h5-8H,9,15H2,1-4H3;1H

InChI Key

BZZYJHQGJDCCCZ-UHFFFAOYSA-N

Boiling Point

352.5 °C at 760 mmHg

Melting Point

188.3 °C

Flash Point

Not applicable

Purity

97 %

Appearance

Solid

Storage

2-8 °C

LogP

2.94680

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

269.1353868 g/mol

Monoisotopic Mass

269.1353868 g/mol

Topological Polar Surface Area

44.5Å²

Heavy Atom Count

Formal Charge

Complexity

265

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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3-(Aminomethyl)phenylboronic Acid Pinacol Ester Hydrochloride

Product Information

Safety Information

Computed Properties

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