4-(Aminomethyl)phenylboronic Acid - CAS 51239-46-4

Name: 4-(Aminomethyl)phenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027378
Product Name:	4-(Aminomethyl)phenylboronic Acid
CAS:	51239-46-4
Synonyms:	[4-(aminomethyl)phenyl]boronic acid; [4-(aminomethyl)phenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[4-(aminomethyl)phenyl]boronic acid
Description:	4-(Aminomethyl)phenylboronic Acid (CAS# 51239-46-4) is a useful research chemical compound.
Molecular Weight:	150.97
Molecular Formula:	C7H10NO2B
Canonical SMILES:	B(C1=CC=C(C=C1)CN)(O)O
InChI:	InChI=1S/C7H10BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5,9H2
InChI Key:	KMWLUGSVWULTHR-UHFFFAOYSA-N
Boiling Point:	337.7 °C at 760 mmHg
Density:	1.18 g/cm³
LogP:	-0.47460

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Publication Number	Title	Priority Date
US-2016096834-A1	Heteroaryl compounds as btk inhibitors and uses thereof	20141006
WO-2015189620-A1	Pyrazolopyrimidine derivatives useful as inhibitors of bruton's tyrosine kinase	20140611
WO-2015171474-A1	Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors	20140509
WO-2015161142-A1	Quinoxaline compounds and uses thereof	20140418
WO-2015140566-A1	Pyrazolo-pyrimidines as inhibitors of btk	20140320

Complexity:	113
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.0804587
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	151.0804587
Rotatable Bond Count:	2
Topological Polar Surface Area:	66.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0