6-(4-Isopropyl-1-piperazinyl)pyridine-3-boronic Acid Pinacol Ester - CAS 919496-58-5
Catalog: |
BB040391 |
Product Name: |
6-(4-Isopropyl-1-piperazinyl)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
919496-58-5 |
Synonyms: |
1-propan-2-yl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine; 1-propan-2-yl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine |
IUPAC Name: | 1-propan-2-yl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine |
Description: | 6-(4-Isopropyl-1-piperazinyl)pyridine-3-boronic Acid Pinacol Ester (CAS# 919496-58-5 ) is a useful research chemical. |
Molecular Weight: | 331.26 |
Molecular Formula: | C18H30N3O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(C)C |
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 |
Boiling Point: | 455.1±45.0 °C (760 mmHg) |
Density: | 1.08±0.1 g/cm3 (20 °C, 760 mmH g) |
MDL: | MFCD13190595 |
LogP: | 1.91410 |
Complexity: | 420 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.2431073999999 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.2431073999999 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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