AG004SI7

850568-22-8 | 4-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, HCl

AG004SI7

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CAS Number	850568-22-8
Catalog Number	AG004SI7(AGN-PC-0712TM)
Chemical Name	4-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, HCl
IUPAC Name	[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]boronic acid;hydrochloride
InChI	InChI=1S/C11H17BN2O3.ClH/c1-14(2)8-7-13-11(15)9-3-5-10(6-4-9)12(16)17;/h3-6,16-17H,7-8H2,1-2H3,(H,13,15);1H
InChI Key	UJXAREBBWZJMPR-UHFFFAOYSA-N
MDL Number	MFCD06656014
Molecular Formula	C11H18BClN2O3
Molecular Weight	272.5362
SMILES	O=C(C1=CC=C(B(O)O)C=C1)NCCN(C)C.[H]Cl
Synonyms	850568-22-8, (4-((2-(Dimethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride, 4-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, HCl, 4-[2-(Dimethylamino)ethylcarbamoyl]phenylboronic Acid Hydrochloride, AK-84328, (4-((2-(DIMETHYLAMINO)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HCL, 4-(2-(dimethylamino)ethylcarbamoyl)phenylboronic acid hydrochloride, C11H18BClN2O3, SCHEMBL15845932, CTK8B3972, KS-00000NQD, 4-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid HCl, DTXSID40656964, 4-(2-Dimethylamino)ethylcarbamoyl)phenylboronic acid,hydrochloride, ZX-AT019388, ANW-43578, MFCD06656014, OR1193, AKOS015893853, AB25442, BOR0001439, RTR-026484, DS-17412, SY024046, AX8089629, ST2414303, TR-026484, 4CH-015663, X2409, MFCD06656014 (95%), B-4248, I04-6392, 4-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid,hcl, 4-Borono-N-[2-(dimethylamino)ethyl]benzamide hydrochloride, 4-{[2-(dimethylamino)ethyl]carbamoyl}phenylboronic acid hydrochloride, (4-{[2-(Dimethylamino)ethyl]carbamoyl}phenyl)boronic acid--hydrogen chloride (1/1), 4-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid hydrochloride, AldrichCPR, 4-[2-(N,N-DIMETHYLAMINOETHYL)AMINOCARBONYL]BENZENEBORONIC ACID HYDROCHLORIDE, 4-(2- PHENYLBORONICACID,HCL, ACN-032492,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.11g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	272.536g/mol
Monoisotopic Mass	272.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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