4-(Isopropylamino)phenylboronic Acid - CAS 219945-56-9

Catalog:	BB017255
Product Name:	4-(Isopropylamino)phenylboronic Acid
CAS:	219945-56-9
Synonyms:	[4-(propan-2-ylamino)phenyl]boronic acid; [4-(propan-2-ylamino)phenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[4-(propan-2-ylamino)phenyl]boronic acid
Description:	4-(Isopropylamino)phenylboronic Acid (CAS# 219945-56-9) is a useful research chemical compound.
Molecular Weight:	179.02
Molecular Formula:	C9H14NO2B
Canonical SMILES:	B(C1=CC=C(C=C1)NC(C)C)(O)O
InChI:	InChI=1S/C9H14BNO2/c1-7(2)11-9-5-3-8(4-6-9)10(12)13/h3-7,11-13H,1-2H3
InChI Key:	DJSHCMVTELTHFC-UHFFFAOYSA-N
Boiling Point:	347.2 °C at 760 mmHg
Density:	1.08 g/cm³
Appearance:	White powder
MDL:	MFCD06798224
LogP:	0.25970

Publication Number	Title	Priority Date
US-2014243286-A1	Bromodomain ligands capable of dimerizing in an aqueous solution, and methods of using same	20110829
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2009192176-A1	1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES	20080130

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Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.1117589
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	179.1117589
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0