AG005FUM

70799-12-1 | 4-[(Dimethylamino)methyl]phenylboronic acid

AG005FUM

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CAS Number	70799-12-1
Catalog Number	AG005FUM(AGN-PC-03QCAI)
Chemical Name	4-[(Dimethylamino)methyl]phenylboronic acid
IUPAC Name	[4-[(dimethylamino)methyl]phenyl]boronic acid
InChI	InChI=1S/C9H14BNO2/c1-11(2)7-8-3-5-9(6-4-8)10(12)13/h3-6,12-13H,7H2,1-2H3
InChI Key	LRWRYAVXFZBFRJ-UHFFFAOYSA-N
MDL Number	MFCD01319001
Molecular Formula	C9H14BNO2
Molecular Weight	179.0240
SMILES	CN(C)CC1=CC=C(C=C1)B(O)O
Synonyms	70799-12-1, 4-((DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID, 4-[(DIMETHYLAMINO)METHYL]PHENYLBORONIC ACID, {4-[(diMethylAMino)Methyl]phenyl}boronic acid, (4-((dimethylamino)methyl)phenyl)boronic acid, [4-((Dimethylamino)methyl)phenyl]boronic acid, 4-[(n,n-dimethylamino)methyl]phenyl boronic acid, 4-(N,N-DIMETHYLAMINOMETHYL)PHENYLBORONIC ACID, (4-[(DIMETHYLAMINO)METHYL]PHENYL)BORONIC ACID, SCHEMBL2386907, AMBA00067, CTK5D3014, KS-00000OQU, DTXSID90626339, LRWRYAVXFZBFRJ-UHFFFAOYSA-N, ANW-54612, MFCD01319001, AKOS000282836, ZINC169745987, AB08817, AM85882, CS-W007065, QC-4397, RP24012, VB10658, 4-dimethylaminomethyl-phenylboronic acid, AK-50060, BC001448, DS-15322, SC-86588, SY023737, [4-(dimethylaminomethyl)phenyl]boronic acid, AB0042905, AB1007618, DB-074347, TC-143357, FT-0717640, ST24042761, Z0800, MFCD01319001 (95%), (4-((dimethylamino) methyl)phenyl)boronic acid, Q-7926, I01-8868, J-502804, (4-[(dimethylamino)methyl]phenyl)boronic acid AldrichCPR, (4-[(dimethylamino)methyl]phenyl)boronic acid, AldrichCPR, null, C9H14BNO2, 4-((DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID HYDROCHLORIDE,

Complexity	145
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	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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