4-(4-Ethylpiperazino)phenylboronic Acid Pinacol Ester - CAS 656257-45-3

Name: 4-(4-Ethylpiperazino)phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB032781
Product Name:	4-(4-Ethylpiperazino)phenylboronic Acid Pinacol Ester
CAS:	656257-45-3
Synonyms:	1-ethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine; 1-ethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine

Technical Data

IUPAC Name:	1-ethyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
Description:	4-(4-Ethylpiperazino)phenylboronic Acid Pinacol Ester (CAS# 656257-45-3) is a useful research chemical.
Molecular Weight:	316.25
Molecular Formula:	C18H29N2O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCN(CC3)CC
InChI:	InChI=1S/C18H29BN2O2/c1-6-20-11-13-21(14-12-20)16-9-7-15(8-10-16)19-22-17(2,3)18(4,5)23-19/h7-10H,6,11-14H2,1-5H3
InChI Key:	OSJYTVPEVGWXNG-UHFFFAOYSA-N
Boiling Point:	469.717 °C at 760 mmHg
Density:	1.1 g/cm³
MDL:	MFCD13190738
LogP:	2.13060

Publication Number	Title	Priority Date
US-2021106588-A1	Bicyclic heterocycles as fgfr inhibitors	20191014
WO-2021076602-A1	Bicyclic heterocycles as fgfr inhibitors	20191014
TW-202019930-A	Chemical compound	20180629
CN-112437774-A	Compound (I)	20180629
US-2021079005-A1	Compounds	20180629

Complexity:	384
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	316.2322083
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	316.2322083
Rotatable Bond Count:	3
Topological Polar Surface Area:	24.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0