AG00H5N2

938465-64-6 | (4-[(Dimethylamino)methyl]phenyl)boronic acid, HCl

AG00H5N2

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CAS Number	938465-64-6
Catalog Number	AG00H5N2(AGN-PC-0HZ8D1)
Chemical Name	(4-[(Dimethylamino)methyl]phenyl)boronic acid, HCl
IUPAC Name	[4-[(dimethylamino)methyl]phenyl]boronic acid;hydrochloride
InChI	InChI=1S/C9H14BNO2.ClH/c1-11(2)7-8-3-5-9(6-4-8)10(12)13;/h3-6,12-13H,7H2,1-2H3;1H
InChI Key	MMXXOUMISIECKD-UHFFFAOYSA-N
MDL Number	MFCD10698488
Molecular Formula	C9H15BClNO2
Molecular Weight	215.4849
SMILES	CN(CC1=CC=C(B(O)O)C=C1)C.[H]Cl
Synonyms	938465-64-6, (4-((Dimethylamino)methyl)phenyl)boronic acid hydrochloride, {4-[(dimethylamino)methyl]phenyl}boronic acid hydrochloride, (4-((DIMETHYLAMINO)METHYL)PHENYL)BORONIC ACID HCL, 4-[(Dimethylamino)methyl]phenylboronic Acid Hydrochloride, AK128851, 4-((N,N-dimethylamino)methyl)phenylboronic acid hydrochloride, 4-((DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID HYDROCHLORIDE, MMXXOUMISIECKD-UHFFFAOYSA-N, C9H15BClNO2, SCHEMBL3109951, DTXSID80738490, KS-000006FH, MFCD10698488, AKOS016000681, AB62220, CS-W003740, DS-5986, DA-40326, SY026365, AB0069314, AX8220416, 4CH-011056, FT-0747964, ST24020454, Z5369, MFCD10698488 (95%), M-8861, (4-[(Dimethylamino)methyl]phenyl)boronic acid, HCl, (4-((Dimethylamino);methyl);phenyl);boronic acid hydrochloride, {4-[(Dimethylamino)methyl]phenyl}boronic acid--hydrogen chloride (1/1), (4-((Dimethylamino)methyl)phenyl)boronicacidhydrochloride,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.088g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	215.484g/mol
Monoisotopic Mass	215.088g/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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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