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Home > Boronic Acids > 1191062-86-8
1191062-86-8 | Piperazine, 1-methyl-4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-
CAS No: 1191062-86-8 Catalog No: AG000I7V MDL No:MFCD11100956
Product Description
Catalog Number:
AG000I7V
Chemical Name:
Piperazine, 1-methyl-4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-
CAS Number:
1191062-86-8
Molecular Formula:
C17H28BN3O2
Molecular Weight:
317.2341
MDL Number:
MFCD11100956
IUPAC Name:
1-methyl-4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
InChI:
InChI=1S/C17H28BN3O2/c1-13-11-14(18-22-16(2,3)17(4,5)23-18)12-19-15(13)21-9-7-20(6)8-10-21/h11-12H,7-10H2,1-6H3
InChI Key:
RAQYEPYXBNXWMA-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ncc(cc1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.227g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.24g/mol
Monoisotopic Mass:
317.227g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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