(Aminomethyl)boronic Acid Pinacol Ester - CAS 298689-75-5

Catalog:	BB020349
Product Name:	(Aminomethyl)boronic Acid Pinacol Ester
CAS:	298689-75-5
Synonyms:	(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine;hydrochloride; (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine;hydrochloride
Description:	(Aminomethyl)boronic Acid Pinacol Ester (CAS# 298689-75-5) is a useful reagent in characterization of an antibacterial agent.
Molecular Weight:	157.02
Molecular Formula:	C7H16NO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)CN.Cl
InChI:	InChI=1S/C7H16BNO2.ClH/c1-6(2)7(3,4)11-8(5-9)10-6;/h5,9H2,1-4H3;1H
InChI Key:	OWIQFIKOPWDOGX-UHFFFAOYSA-N
LogP:	2.49710

Publication Number	Title	Priority Date
CN-110156820-B	Mercaptoamide boronic acid derivatives and application thereof as MBL (sodium Bromide) and/or SBL (SBL) inhibitor	20190425
EP-3381907-A1	Symmetrical 2-aminophenyl-benzazolyl-5-acetate compounds and their use as anti-heparanase	20170327
EP-3381908-A1	2-(4-(4-(bromo-methoxybenzamido)benzylamino)phenyl)benzazole derivatives and their use as anti-heparanase	20170327
WO-2018177857-A1	Symmetrical 2-aminophenyl-benzazolyl-5-acetate compounds and their use as anti-heparanase	20170327
WO-2018177860-A1	2-(4-(4-(bromo-methoxybenzamido)benzylamino)phenyl)benzazole derivatives and their use as anti-heparanase	20170327

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.1040866
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	193.1040866
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0