5-(Aminomethyl)-2-methylphenylboronic Acid Pinacol Ester - CAS 1011460-69-7

Catalog:	BB000452
Product Name:	5-(Aminomethyl)-2-methylphenylboronic Acid Pinacol Ester
CAS:	1011460-69-7
Synonyms:	[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine; [4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine

Technical Data

IUPAC Name:	[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
Description:	5-(Aminomethyl)-2-methylphenylboronic Acid Pinacol Ester (CAS# 1011460-69-7 ) is a useful research chemical.
Molecular Weight:	247.14
Molecular Formula:	C14H22NO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)CN)C
InChI:	InChI=1S/C14H22BNO2/c1-10-6-7-11(9-16)8-12(10)15-17-13(2,3)14(4,5)18-15/h6-8H,9,16H2,1-5H3
InChI Key:	DYSAVNQPEUGNIH-UHFFFAOYSA-N

Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.1743591
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	247.1743591
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0