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Home > Boronic Acids > 919496-58-5
919496-58-5 | 2-(4-isopropyl-piperazin-1-yl) pyridine-5-boronic acid pinacol ester
CAS No: 919496-58-5 Catalog No: AG00IGYQ MDL No:MFCD13190595
Product Description
Catalog Number:
AG00IGYQ
Chemical Name:
2-(4-isopropyl-piperazin-1-yl) pyridine-5-boronic acid pinacol ester
CAS Number:
919496-58-5
Molecular Formula:
C18H30BN3O2
Molecular Weight:
331.2607
MDL Number:
MFCD13190595
IUPAC Name:
1-propan-2-yl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
InChI:
InChI=1S/C18H30BN3O2/c1-14(2)21-9-11-22(12-10-21)16-8-7-15(13-20-16)19-23-17(3,4)18(5,6)24-19/h7-8,13-14H,9-12H2,1-6H3
InChI Key:
TYHGWMPAZRYODJ-UHFFFAOYSA-N
SMILES:
CC(N1CCN(CC1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.243g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.267g/mol
Monoisotopic Mass:
331.243g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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