2-[(Boc-amino)methyl]phenylboronic Acid - CAS 433969-27-8

Catalog:	BB025401
Product Name:	2-[(Boc-amino)methyl]phenylboronic Acid
CAS:	433969-27-8
Synonyms:	[2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]boronic acid; [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
Description:	2-[(Boc-amino)methyl]phenylboronic Acid (CAS# 433969-27-8) is a useful research chemical.
Molecular Weight:	251.09
Molecular Formula:	C12H18NO4B
Canonical SMILES:	B(C1=CC=CC=C1CNC(=O)OC(C)(C)C)(O)O
InChI:	InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-6-4-5-7-10(9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)
InChI Key:	NVCGSIBAXVRMLU-UHFFFAOYSA-N
MDL:	MFCD05663974
LogP:	0.78200

Publication Number	Title	Priority Date
CA-3056970-A1	2-methyl-quinazolines	20170321
AU-2017304761-A1	Pharmaceutical compounds	20160726
JP-2019523266-A	Pharmaceutical compounds	20160726
US-2019233394-A1	Pharmaceutical compounds	20160726
US-11053213-B2	Pharmaceutical compounds	20160726

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Related Functional Groups

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Complexity:	278
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.1328882
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	251.1328882
Rotatable Bond Count:	5
Topological Polar Surface Area:	78.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0