AG00773B

389621-80-1 | 4-(N,N-Diethylaminocarbonyl)phenylboronic acid

AG00773B

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CAS Number	389621-80-1
Catalog Number	AG00773B(AGN-PC-0KKVE2)
Chemical Name	4-(N,N-Diethylaminocarbonyl)phenylboronic acid
IUPAC Name	[4-(diethylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3
InChI Key	ZCGVBHIMRVYWOH-UHFFFAOYSA-N
MDL Number	MFCD03411949
Molecular Formula	C11H16BNO3
Molecular Weight	221.0606
SMILES	OB(C1=CC=C(C(N(CC)CC)=O)C=C1)O
Synonyms	4-(N,N-Diethylaminocarbonyl)phenylboronic acid, 389621-80-1, 4-(diethylcarbamoyl)phenylboronic acid, [4-(diethylcarbamoyl)phenyl]boronic Acid, 4-(DIETHYLCARBAMOYL)BENZENEBORONIC ACID, MFCD03411949, 4-(Diethylaminocarbonyl)phenylboronic acid, BORONIC ACID, [4-[(DIETHYLAMINO)CARBONYL]PHENYL]-, (4-(Diethylcarbamoyl)phenyl)boronic acid, AC1MCMUW, ACMC-209j2q, AMTB302, SCHEMBL133138, CTK4I0752, DTXSID80378416, ZCGVBHIMRVYWOH-UHFFFAOYSA-N, BM335, ANW-28992, CD-765, SBB071096, 4-(Diethylcarbamoyl)benzeneboronic aci, AKOS015843270, ZINC169744979, AB14315, LS10881, PS-9530, RP07412, RTC-068702, VB10656, KS-000019F8, AN-28550, BC000373, N300, AB0008972, AB1004684, DB-010633, TC-068702, 4-[(diethylamino)carbonyl]phenylboronic acid, CS-0046818, D4681, FT-0084894, FT-0644567, ST24028816, {4-[(diethylamino)carbonyl]phenyl}boronic acid, 4-(n,n-diethylaminocarbonyl)phenyl boronic acid, B-3037, 4-(N,N -Diethylaminocarbonyl)phenylboronic acid, 621D801, Boronic acid,B-[4-[(diethylamino)carbonyl]phenyl]-, J-513790, 4-(N,N-DIETHYLAMINOCARBONYL)-BENZENEBORONIC ACID, 4-(N,N-diethylaminocarbonyl)phenylboronic acid, AldrichCPR, C11H16BNO3, ACN-032748, CID2773375, Boronic acid, [4-[(diethylamino)carbonyl]phenyl]- (9CI),

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.122g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.063g/mol
Monoisotopic Mass	221.122g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	60.8A^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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