4-Morpholinophenylboronic Acid - CAS 186498-02-2

Catalog:	BB014329
Product Name:	4-Morpholinophenylboronic Acid
CAS:	186498-02-2
Synonyms:	[4-(4-morpholinyl)phenyl]boronic acid; (4-morpholin-4-ylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(4-morpholin-4-ylphenyl)boronic acid
Description:	4-Morpholinophenylboronic Acid (CAS# 186498-02-2) is a useful research chemical for the preparation of biologically and pharmacologically active molecules.
Molecular Weight:	207.03
Molecular Formula:	C10H14NO3B
Canonical SMILES:	B(C1=CC=C(C=C1)N2CCOCC2)(O)O
InChI:	InChI=1S/C10H14BNO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4,13-14H,5-8H2
InChI Key:	WHDIUBHAKZDSJL-UHFFFAOYSA-N
Boiling Point:	425.9 °C at 760 mmHg
Density:	1.24 g/cm³
MDL:	MFCD03095169
LogP:	-0.73200

Publication Number	Title	Priority Date
WO-2021211974-A1	Hsd17b13 inhibitors and uses thereof	20200418
WO-2021210970-A1	Pyridopyrimidinone derivatives and their use as aryl hydrocarbon receptor modulators	20200417
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
WO-2021178780-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20200306
CN-113214288-A	Benzo [1,3] oxazine-oxazolidinone compound and preparation method and application thereof	20200204

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Related Functional Groups

Boronic Acids and Esters

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2-Chloro-4-hydroxyphenylboronic Acid
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[470478-90-1]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.1066735
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	207.1066735
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0