2-(Dimethylcarbamoyl)phenylboronic Acid - CAS 874219-16-6

Catalog:	BB038432
Product Name:	2-(Dimethylcarbamoyl)phenylboronic Acid
CAS:	874219-16-6
Synonyms:	[2-[dimethylamino(oxo)methyl]phenyl]boronic acid; [2-(dimethylcarbamoyl)phenyl]boronic acid

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Computed Properties

IUPAC Name:	[2-(dimethylcarbamoyl)phenyl]boronic acid
Description:	2-(Dimethylcarbamoyl)phenylboronic Acid (CAS# 874219-16-6) is a useful research chemical.
Molecular Weight:	193.01
Molecular Formula:	C9H12NO3B
Canonical SMILES:	B(C1=CC=CC=C1C(=O)N(C)C)(O)O
InChI:	InChI=1S/C9H12BNO3/c1-11(2)9(12)7-5-3-4-6-8(7)10(13)14/h3-6,13-14H,1-2H3
InChI Key:	NZIOVLXULSCCSG-UHFFFAOYSA-N
Boiling Point:	417.8 °C at 760 mmHg
Density:	1.2 g/cm³
LogP:	-0.93180

Publication Number	Title	Priority Date
EP-3878891-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	20200310
WO-2021180795-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	20200310
US-2019374542-A1	Kras g12c inhibitors and methods of using the same	20180612
BR-112020012635-A2	aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
CA-3070013-A1	Substituted pyrrolopyridine-derivatives	20170718

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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:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.0910234
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	193.0910234
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0