4-[(Diethylamino)methyl]phenylboronic Acid - CAS 220999-48-4

Catalog:	BB017372
Product Name:	4-[(Diethylamino)methyl]phenylboronic Acid
CAS:	220999-48-4
Synonyms:	[4-(diethylaminomethyl)phenyl]boronic acid; [4-(diethylaminomethyl)phenyl]boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	[4-(diethylaminomethyl)phenyl]boronic acid
Description:	4-[(Diethylamino)methyl]phenylboronic Acid (CAS# 220999-48-4) is a useful research chemical.
Molecular Weight:	207.08
Molecular Formula:	C11H18NO2B
Canonical SMILES:	B(C1=CC=C(C=C1)CN(CC)CC)(O)O
InChI:	InChI=1S/C11H18BNO2/c1-3-13(4-2)9-10-5-7-11(8-6-10)12(14)15/h5-8,14-15H,3-4,9H2,1-2H3
InChI Key:	WGXUKAGOUGPEOL-UHFFFAOYSA-N
Boiling Point:	327.8 °C at 760 mmHg
Density:	1.05 g/cm³
MDL:	MFCD04039019
LogP:	0.20820

Publication Number	Title	Priority Date
AU-2017336523-A1	Calpain modulators and therapeutic uses thereof	20160928
EP-3523294-A1	Calpain modulators and therapeutic uses thereof	20160928
JP-2020500207-A	Calpain modulators and their therapeutic use	20160928
US-2020123114-A1	Calpain modulators and therapeutic uses thereof	20160928
WO-2018064119-A1	Calpain modulators and therapeutic uses thereof	20160928

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Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.143059
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	207.143059
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0