AG004J03

874291-01-7 | 1-Propyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea

AG004J03

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CAS Number	874291-01-7
Catalog Number	AG004J03(AGN-PC-0VDJOT)
Chemical Name	1-Propyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
IUPAC Name	1-propyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
InChI	InChI=1S/C16H25BN2O3/c1-6-11-18-14(20)19-13-9-7-12(8-10-13)17-21-15(2,3)16(4,5)22-17/h7-10H,6,11H2,1-5H3,(H2,18,19,20)
InChI Key	JSBXBESTMBFPFH-UHFFFAOYSA-N
MDL Number	MFCD09027288
Molecular Formula	C16H25BN2O3
Molecular Weight	304.1923
SMILES	O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)NCCC
Synonyms	874291-01-7, 1-Propyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea, 4-(3-Propylureido)benzeneboronic acid, pinacol ester, 4-(3-Propylureido)phenylboronic acid, pinacol ester, urea,N-propyl-N(4-4,4,5,5-tetramethy1,3,2-dioxabor0lan-2-yl)phenyl, SCHEMBL443866, CTK8B3267, DTXSID50657301, JSBXBESTMBFPFH-UHFFFAOYSA-N, ACT11292, ZX-AT011960, ANW-42163, MFCD09027288, OR5972, AKOS015999794, ZINC169745900, RTR-027466, AX8231621, TR-027466, 4CH-003193, FT-0699123, ST24021377, Y6593, B-4071, (4-(3-propylureido)phenyl)boronic acid pinacol ester, 4-[(Propylcarbamoyl)amino]benzeneboronic acid, pinacol ester, 3-propyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, N-Propyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, Urea,N-propyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, C16H25BN2O3, 1-PROPYL-3-[4- PHENYL]UREA, ACN-042907, 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-propylurea, 1-propyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea, 1-N-Propyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,

Complexity	377
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	304.196g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	304.197g/mol
Monoisotopic Mass	304.196g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	59.6A^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-P305+P351+P338
UN Code

Certificate of Analysis

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