4-(1-Pyrrolidylmethyl)phenylboronic Acid - CAS 1036991-20-4

Catalog:	BB001204
Product Name:	4-(1-Pyrrolidylmethyl)phenylboronic Acid
CAS:	1036991-20-4
Synonyms:	[4-(1-pyrrolidinylmethyl)phenyl]boronic acid; [4-(pyrrolidin-1-ylmethyl)phenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[4-(pyrrolidin-1-ylmethyl)phenyl]boronic acid
Description:	4-(1-Pyrrolidylmethyl)phenylboronic Acid (CAS# 1036991-20-4) is a useful research chemical.
Molecular Weight:	205.06
Molecular Formula:	C11H16NO2B
Canonical SMILES:	B(C1=CC=C(C=C1)CN2CCCC2)(O)O
InChI:	InChI=1S/C11H16BNO2/c14-12(15)11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6,14-15H,1-2,7-9H2
InChI Key:	VXHLRYOCYRFLMS-UHFFFAOYSA-N
LogP:	-0.09990

Publication Number	Title	Priority Date
WO-2019106087-A1	Ampk inhibitors	20171129
CN-106636043-B	Method for producing protease	20161227
WO-2015086693-A1	Pyrazolopyrimidin-2-yl derivatives as jak inhibitors	20131211
WO-2015011008-A1	7-azaindole derivatives as parp inhibitors	20130725
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416

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Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.1274089
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	205.1274089
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0