3-Methyl-4-morpholinophenylboronic Acid - CAS 1426245-63-7

Catalog:	BB009386
Product Name:	3-Methyl-4-morpholinophenylboronic Acid
CAS:	1426245-63-7
Synonyms:	[3-methyl-4-(4-morpholinyl)phenyl]boronic acid; (3-methyl-4-morpholin-4-ylphenyl)boronic acid

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Computed Properties

IUPAC Name:	(3-methyl-4-morpholin-4-ylphenyl)boronic acid
Description:	3-Methyl-4-morpholinophenylboronic Acid (CAS# 1426245-63-7) is a useful research chemical.
Molecular Weight:	221.06
Molecular Formula:	C11H16NO3B
Canonical SMILES:	B(C1=CC(=C(C=C1)N2CCOCC2)C)(O)O
InChI:	InChI=1S/C11H16BNO3/c1-9-8-10(12(14)15)2-3-11(9)13-4-6-16-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChI Key:	SPIHCTVLDYDVCE-UHFFFAOYSA-N
LogP:	-0.42360

Publication Number	Title	Priority Date
KR-20190110740-A	Novel aryl or heteroaryl 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
CN-111886227-A	Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them	20180321
KR-20200123846-A	Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same	20180321

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.1223235
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	221.1223235
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0