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Home > Boronic Acids > 1480399-95-8
1480399-95-8 | 2-(4-methylpiperazin-1-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
CAS No: 1480399-95-8 Catalog No: AG00ARKA MDL No:
Product Description
Catalog Number:
AG00ARKA
Chemical Name:
2-(4-methylpiperazin-1-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
CAS Number:
1480399-95-8
Molecular Formula:
C19H30BN3O3
Molecular Weight:
359.2708
IUPAC Name:
2-(4-methylpiperazin-1-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI:
InChI=1S/C19H30BN3O3/c1-18(2)19(3,4)26-20(25-18)15-6-8-16(9-7-15)21-17(24)14-23-12-10-22(5)11-13-23/h6-9H,10-14H2,1-5H3,(H,21,24)
InChI Key:
HWRGPVKREFQHDS-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CC(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.238g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.277g/mol
Monoisotopic Mass:
359.238g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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