AG008L0Z

819849-22-4 | B-[3-[(Dimethylamino)methyl]phenyl]boronic acid

AG008L0Z

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CAS Number	819849-22-4
Catalog Number	AG008L0Z(AGN-PC-02XCVU)
Chemical Name	B-[3-[(Dimethylamino)methyl]phenyl]boronic acid
IUPAC Name	[3-[(dimethylamino)methyl]phenyl]boronic acid
InChI	InChI=1S/C9H14BNO2/c1-11(2)7-8-4-3-5-9(6-8)10(12)13/h3-6,12-13H,7H2,1-2H3
InChI Key	OFYQEYPITRRCBP-UHFFFAOYSA-N
MDL Number	MFCD03425961
Molecular Formula	C9H14BNO2
Molecular Weight	179.0240
SMILES	C(N(C)C)c1cc(B(O)O)ccc1
Synonyms	819849-22-4, 3-((DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID, (3-((dimethylamino)methyl)phenyl)boronic acid, {3-[(Dimethylamino)methyl]phenyl}boronic acid, Boronic acid, [3-[(dimethylamino)methyl]phenyl]-, 3-(N, N-DIMETHYLAMINOMETHYL) PHENYLBORONIC ACID, 3-[(Dimethylamino)methyl]phenylboronic acid, MFCD20731144, [3-[(dimethylamino)methyl]phenyl]boronic acid, KSC494E5F, SCHEMBL1723229, AMBA00072, CTK3J4252, DTXSID30609343, OFYQEYPITRRCBP-UHFFFAOYSA-N, ALBB-026973, CS-M2927, KS-00001F1A, ANW-45736, EBD472326, MFCD03425961, AKOS010796250, ZINC169745763, AM85921, QC-4395, AN-27271, AS-30722, BC001464, 3-((Dimethylamino)methyl)benzeneboronicacid, AB0026845, RT-001931, ST2410333, 3-((Dimethylamino)methyl)benzeneboronic acid, 3-((Dimethylamino)methyl)phenyl boronic acid, W8596, 3-(N,N-dimethylaminomethyl)phenylboronic acid, 3-(N,N-dimethylaminomethyl)phenyl boronic acid, Q-7928, I01-8869, boronic acid, [3-[(dimethylamino)methyl]phenyl]-, hydrochloride, C9H14BNO2, 3-((Dimethylamino)methyl)phenylboronicacid, {3-[(dimethylamino)methyl]phenyl}boronic acid hydrochloride,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.112g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.026g/mol
Monoisotopic Mass	179.112g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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