AG008GTJ

850568-32-0 | 4-(Dipropylcarbamoyl)phenylboronic acid

AG008GTJ

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CAS Number	850568-32-0
Catalog Number	AG008GTJ(AGN-PC-0UX3L1)
Chemical Name	4-(Dipropylcarbamoyl)phenylboronic acid
IUPAC Name	[4-(dipropylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C13H20BNO3/c1-3-9-15(10-4-2)13(16)11-5-7-12(8-6-11)14(17)18/h5-8,17-18H,3-4,9-10H2,1-2H3
InChI Key	YMGIJQOMEWJVKA-UHFFFAOYSA-N
MDL Number	MFCD06659883
Molecular Formula	C13H20BNO3
Molecular Weight	249.1138
SMILES	O=C(C1=CC=C(B(O)O)C=C1)N(CCC)CCC
Synonyms	850568-32-0, 4-(Dipropylcarbamoyl)phenylboronic acid, (4-(Dipropylcarbamoyl)phenyl)boronic acid, 4-(N,N-DIPROPYLAMINOCARBONYL)PHENYLBORONIC ACID, [4-(dipropylcarbamoyl)phenyl]boronic acid, 4-(N,N-Dipropylaminocarbonyl)benzeneboronic acid, ACMC-209q1s, SCHEMBL12538103, CTK5F3959, DTXSID70657207, YMGIJQOMEWJVKA-UHFFFAOYSA-N, ANW-38030, MFCD06659883, AKOS015839629, ZINC169745365, AB26548, RTR-026494, BC001989, TR-026494, ST24034569, X2418, B-5539, I04-2203, Boronic acid,B-[4-[(dipropylamino)carbonyl]phenyl]-, 4- phenylboronicacid, C13H20BNO3, ACN-042712, (4-(Dipropylcarbamoyl)phenyl)boronicacid, 4-(DI-N-PROPYLCARBAMOYL)BENZENEBORONIC ACID, 4-(DI-N-PROPYLAMINOCARBONYL)PHENYLBORONIC ACID,

Complexity	247
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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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