Boronic acid,b-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride(1:1)

CAS

913835-46-8

Catalog Number

ACM913835468

Category

Other Products

Molecular Weight

300.58938

Molecular Formula

C₁₃H₂₂BClN₂O₃

MSDS COA Spec Sheet

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Specification

Synonyms

913835-46-8, 4-[2-(N,N-Diethylaminoethyl)aminocarbonyl]phenylboronic acid, HCl, (4-((2-(Diethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride, SureCN1367735, CTK8B3277, MolPort-001-769-067, ANW-42188, OR5966, AKOS015893503, AK-92828, B-4092, I04-5926, 4-{[2-(diethylamino)ethyl]carbamoyl}phenylboronic acid hydrochloride, 4-[2-(N,N-Diethylaminoethyl)aminocarbonyl]benzeneboronic acid hydrochloride, 4-{[2-(Diethylamino)ethyl]carbamoyl}benzeneboronic acid hydrochloride

IUPAC Name

[4-[2-(diethylamino)ethylcarbamoyl]phenyl]boronic acid;hydrochloride

Canonical SMILES

B(C1=CC=C(C=C1)C(=O)NCCN(CC)CC)(O)O.Cl

InChI Key

WQYCSVUEHAFRHV-UHFFFAOYSA-N

Boiling Point

494.3ºC at 760 mmHg

Melting Point

65-67ºC

Flash Point

252.7ºC

Exact Mass

300.14100

Hazard Statements

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Boronic acid, b-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride(1:1)?

The molecular formula is C13H22BClN2O3.

What is the molecular weight of Boronic acid, b-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride(1:1)?

The molecular weight is 300.59 g/mol.

When was Boronic acid, b-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride(1:1) created?

It was created on July 21, 2009.

What are some synonyms for Boronic acid, b-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride(1:1)?

Some synonyms include 4-((2-(Diethylamino)ethyl)carbamoyl)phenylboronic acid hydrochloride and [4-[2-(diethylamino)ethylcarbamoyl]phenyl]boronic acid.

What is the InChI key for Boronic acid, b-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride(1:1)?

The InChI key is WQYCSVUEHAFRHV-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in Boronic acid, b-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride(1:1)?

There are 4 hydrogen bond donor counts.

What is the topological polar surface area of Boronic acid, b-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride(1:1)?

The topological polar surface area is 72.8 Å².

Is Boronic acid, b-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride(1:1) considered as a canonicalized compound?

Yes, it is considered as a canonicalized compound.

How many rotatable bond counts are there in Boronic acid, b-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride(1:1)?

There are 7 rotatable bond counts.

What is the CAS ID for Boronic acid, b-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride(1:1)?

The CAS ID is 913835-46-8.