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Home > Boronic Acids > 879486-90-5
879486-90-5 | 1-Piperazinecarboxamide,4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 879486-90-5 Catalog No: AG01DTQU MDL No:
Product Description
Catalog Number:
AG01DTQU
Chemical Name:
1-Piperazinecarboxamide,4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
879486-90-5
Molecular Formula:
C18H28BN3O3
Molecular Weight:
345.2442
IUPAC Name:
4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxamide
InChI:
InChI=1S/C18H28BN3O3/c1-17(2)18(3,4)25-19(24-17)14-6-8-15(9-7-14)20-16(23)22-12-10-21(5)11-13-22/h6-9H,10-13H2,1-5H3,(H,20,23)
InChI Key:
BWCYAHJZJMLVOS-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.222g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.25g/mol
Monoisotopic Mass:
345.222g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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