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Home > Boronic Acids > 1452551-40-4
1452551-40-4 | Piperazine, 1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, hydrochloride (1:3)
CAS No: 1452551-40-4 Catalog No: AG001KQ2 MDL No:
Product Description
Catalog Number:
AG001KQ2
Chemical Name:
Piperazine, 1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, hydrochloride (1:3)
CAS Number:
1452551-40-4
Molecular Formula:
C16H29BCl3N3O2
Molecular Weight:
412.5904
IUPAC Name:
1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine;trihydrochloride
InChI:
InChI=1S/C16H26BN3O2.3ClH/c1-15(2)16(3,4)22-17(21-15)13-6-7-14(18-12-13)20-10-8-19(5)9-11-20;;;/h6-7,12H,8-11H2,1-5H3;3*1H
InChI Key:
SBPPPIMDSRGJJP-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C.Cl.Cl.Cl
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
412.587g/mol
Monoisotopic Mass:
411.142g/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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