4-(1-Pyrrolidinyl)phenylboronic Acid - CAS 229009-41-0

Catalog:	BB017802
Product Name:	4-(1-Pyrrolidinyl)phenylboronic Acid
CAS:	229009-41-0
Synonyms:	[4-(1-pyrrolidinyl)phenyl]boronic acid; (4-pyrrolidin-1-ylphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(4-pyrrolidin-1-ylphenyl)boronic acid
Description:	4-(1-Pyrrolidinyl)phenylboronic Acid (CAS# 229009-41-0) is a useful research chemical.
Molecular Weight:	191.03
Molecular Formula:	C10H14NO2B
Canonical SMILES:	B(C1=CC=C(C=C1)N2CCCC2)(O)O
InChI:	InChI=1S/C10H14BNO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6,13-14H,1-2,7-8H2
InChI Key:	HNEBXPPPIFWGHH-UHFFFAOYSA-N
Boiling Point:	403.2 °C at 760 mmHg
Density:	1.19 g/cm³
MDL:	MFCD03095137
LogP:	0.03160

Publication Number	Title	Priority Date
WO-2021005222-A1	Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	20190711
KR-20190110736-A	Novel triazolone derivatives or its salt and pharmaceutical compositions comprising the same	20180321
US-10562865-B2	Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same	20180321
US-2019308944-A1	Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same	20180321
US-2019322655-A1	Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same	20180321

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Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.1117589
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	191.1117589
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0