AG004T7O

840521-76-8 | 3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, pinacol ester

AG004T7O

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CAS Number	840521-76-8
Catalog Number	AG004T7O(AGN-PC-0UQAUW)
Chemical Name	3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, pinacol ester
IUPAC Name	N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI	InChI=1S/C17H27BN2O3/c1-16(2)17(3,4)23-18(22-16)14-9-7-8-13(12-14)15(21)19-10-11-20(5)6/h7-9,12H,10-11H2,1-6H3,(H,19,21)
InChI Key	KQUHTIHQDGBEMM-UHFFFAOYSA-N
MDL Number	MFCD05865086
Molecular Formula	C17H27BN2O3
Molecular Weight	318.2189
SMILES	C1=CC=C(C=C1B1OC(C)(C)C(O1)(C)C)C(=O)NCCN(C)C
Synonyms	840521-76-8, N-(2-(Dimethylamino)ethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, N-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, n-[2-(n',n'-dimethylamino)ethyl]benzamide-3-boronic acid, pinacol ester, N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, 3-(2-(DIMETHYLAMINO)ETHYLCARBAMOYL)PHENYLBORONIC ACID, PINACOL ESTER, AC1MBYB3, SCHEMBL1679566, CTK5F1744, DTXSID40374358, KQUHTIHQDGBEMM-UHFFFAOYSA-N, ZXBA000184, ZX-AT013881, ANW-54916, MFCD05865086, AKOS015960134, ZINC169794284, AB22922, BS-2098, OR52070, RTR-026048, KS-0000232Q, BC000568, CC-31290, SC-62912, AX8008929, DB-056768, FT-0644894, B-4155, A840708, C-19552, N-(2-DIMETHYLAMINOETHYL)-3-(4,4,5,5-TETRAMETHYL-1,, Benzamide,N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, N-(2-dimethylamino-ethyl)-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide, n-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl)-1,3,2-dioxaborolan-2-yl benzamide, n-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl)1,3,2-dioxaborolan-2-yl)benzamide, N-(2-Dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)benzamide, N-[2-(dimethylamino)ethyl]-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, N-[2-(N',N'-Dimethylamino)ethyl]benzamide-3-boronic acid, pinacol ester, AldrichCPR, N-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, AldrichCPR, CID2758502, 3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid pinacol ester,

Complexity	410
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	318.211g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	318.224g/mol
Monoisotopic Mass	318.211g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	50.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501
UN Code

Certificate of Analysis

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