AG003ABD

957061-01-7 | (3-((2-(Diethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride

AG003ABD

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CAS Number	957061-01-7
Catalog Number	AG003ABD(AGN-PC-0W5CBK)
Chemical Name	(3-((2-(Diethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride
IUPAC Name	[3-[2-(diethylamino)ethylcarbamoyl]phenyl]boronic acid;hydrochloride
InChI	InChI=1S/C13H21BN2O3.ClH/c1-3-16(4-2)9-8-15-13(17)11-6-5-7-12(10-11)14(18)19;/h5-7,10,18-19H,3-4,8-9H2,1-2H3,(H,15,17);1H
InChI Key	CXICYVWYLASJEJ-UHFFFAOYSA-N
MDL Number	MFCD09027256
Molecular Formula	C13H22BClN2O3
Molecular Weight	300.5894
SMILES	Cl.O=C(C1C=CC=C(B(O)O)C=1)NCCN(CC)CC
Synonyms	957061-01-7, (3-((2-(Diethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride, 3-(2-N,N-Diethylaminoethylaminocarbonyl)phenylboronic acid, HCl, MFCD09027256, 3-{[2-(Diethylamino)ethyl]carbamoyl}benzeneboronic acid hydrochloride, CTK6E8335, DTXSID40657375, ZX-AT011970, ANW-42189, OR7419, AKOS015893621, RTR-029901, AX8230687, TR-029901, ST24020309, V9697, B-4301, I04-6745, 3-(2-N,N-Diethylaminoethylaminocarbonyl)phenylboronic acid HCl, 3-{[2-(diethylamino)ethyl]carbamoyl}phenylboronic acid hydrochloride, (3-((2-(Diethylamino)ethyl)carbamoyl)-phenyl)boronic acid hydrochloride, (3-((2-(Diethylamino)ethyl)carbamoyl)phenyl)boronic acidhydrochloride, 3-(2-N,N-Diethylaminoethylaminocarbonyl)phenylboronic acid, hydrochloride, (3-{[2-(Diethylamino)ethyl]carbamoyl}phenyl)boronic acid--hydrogen chloride (1/1), C13H21BN2O3.HCl, ACN-042681, (3-((2-(Diethylamino)ethyl)carbamoyl)phenyl)boronicacidhydrochloride, 3-(2-Diethylaminoethylcarbamoyl)benzeneboronic acid hydrochloride, 3-[2-(Diethylamino)ethylaminocarbonyl]phenylboronic acid hydrochloride,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	300.141g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	300.59g/mol
Monoisotopic Mass	300.141g/mol
Rotatable Bond Count	7
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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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