AG00HVYY

1409999-54-7 | 2-methyl-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide

AG00HVYY

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CAS Number	1409999-54-7
Catalog Number	AG00HVYY(AGN-PC-0WAY44)
Chemical Name	2-methyl-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
IUPAC Name	2,2-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
InChI	InChI=1S/C17H26BNO3/c1-15(2,3)14(20)19-13-10-8-12(9-11-13)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3,(H,19,20)
InChI Key	IGYCMBQKZPTDFG-UHFFFAOYSA-N
MDL Number	MFCD09842849
Molecular Formula	C17H26BNO3
Molecular Weight	303.2042
SMILES	CC(C)(C)C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)=O
Synonyms	1409999-54-7, 2,2-dimethyl-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide, AMTB901, SCHEMBL13721714, KS-000022KO, AKOS024255640, ZINC170018714, AS-2956, AK185218, N-(4-(4,4,5,5-tetramethyl- 1,3,2-dioxaborolan-2-yl)phenyl)isobutyramide, 2,2-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide, C17H26BNO3,

Complexity	404
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	303.201g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	303.209g/mol
Monoisotopic Mass	303.201g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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