AG002PLD

248274-04-6 | 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzylamine hydrochloride

AG002PLD

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CAS Number	248274-04-6
Catalog Number	AG002PLD(AGN-PC-09PZJ9)
Chemical Name	2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzylamine hydrochloride
IUPAC Name	[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
InChI	InChI=1S/C13H20BNO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,9,15H2,1-4H3
InChI Key	QHGKJHOITXTFBC-UHFFFAOYSA-N
MDL Number	MFCD16295106
Molecular Formula	C13H20BNO2
Molecular Weight	233.1144
SMILES	NCC1=CC=CC=C1B2OC(C)(C)C(C)(C)O2
Synonyms	248274-04-6, (2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine, 2-(Aminomethyl)phenylboronic acid, pinacol ester, Benzenemethanamine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, [2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine, 1-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine, DTXSID00682209, MFCD16295106, AKOS016000698, ZINC169810444, AM90078, FCH2831293, AS-55644, AX8250401, CS-0061110, A-3741, 2-(Aminomethyl)phenylboronic acid pinacol ester,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.159g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.118g/mol
Monoisotopic Mass	233.159g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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