AG004Z80

850567-39-4 | 3-(Dipropylcarbamoyl)phenylboronic acid

AG004Z80

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CAS Number	850567-39-4
Catalog Number	AG004Z80(AGN-PC-0UX3J5)
Chemical Name	3-(Dipropylcarbamoyl)phenylboronic acid
IUPAC Name	[3-(dipropylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C13H20BNO3/c1-3-8-15(9-4-2)13(16)11-6-5-7-12(10-11)14(17)18/h5-7,10,17-18H,3-4,8-9H2,1-2H3
InChI Key	FEDZYTLGLQATCT-UHFFFAOYSA-N
MDL Number	MFCD06659889
Molecular Formula	C13H20BNO3
Molecular Weight	249.1138
SMILES	CCCN(CCC)C(=O)C1=CC=CC(=C1)B(O)O
Synonyms	850567-39-4, 3-(Dipropylcarbamoyl)phenylboronic acid, (3-(Dipropylcarbamoyl)phenyl)boronic acid, 3-(N,N-Dipropylaminocarbonyl)benzeneboronic acid, [3-(dipropylcarbamoyl)phenyl]boronic acid, ACMC-209q0p, SCHEMBL15535059, CTK5F3924, DTXSID60657276, FEDZYTLGLQATCT-UHFFFAOYSA-N, ANW-37991, MFCD06659889, AKOS015839628, ZINC169745698, AB26563, PS-9715, RTR-026436, TR-026436, X2372, B-5537, I04-2204, Boronic acid,B-[3-[(dipropylamino)carbonyl]phenyl]-, 3- phenylboronicacid, C13H20BNO3, ACN-042711, (3-(Dipropylcarbamoyl)phenyl)boronicacid, 3-(DI-N-PROPYLCARBAMOYL)BENZENEBORONIC ACID,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.154g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	249.117g/mol
Monoisotopic Mass	249.154g/mol
Rotatable Bond Count	6
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-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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