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80528-41-2 | 2,6-Bis((bis(pyridin-2-ylmethyl)amino)methyl)-4-methylphenol
CAS No: 80528-41-2 Catalog No: AG003TO8 MDL No:MFCD16652516
Product Description
Catalog Number:
AG003TO8
Chemical Name:
2,6-Bis((bis(pyridin-2-ylmethyl)amino)methyl)-4-methylphenol
CAS Number:
80528-41-2
Molecular Formula:
C33H34N6O
Molecular Weight:
530.6627
MDL Number:
MFCD16652516
IUPAC Name:
2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol
InChI:
InChI=1S/C33H34N6O/c1-26-18-27(20-38(22-29-10-2-6-14-34-29)23-30-11-3-7-15-35-30)33(40)28(19-26)21-39(24-31-12-4-8-16-36-31)25-32-13-5-9-17-37-32/h2-19,40H,20-25H2,1H3
InChI Key:
SAJIFZPINIDYBV-UHFFFAOYSA-N
SMILES:
Cc1cc(CN(Cc2ccccn2)Cc2ccccn2)c(c(c1)CN(Cc1ccccn1)Cc1ccccn1)O
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.279g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
530.676g/mol
Monoisotopic Mass:
530.279g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| The versatile binding mode of transition-state analogue inhibitors of tyrosinase towards dicopper(II) model complexes: experimental and theoretical investigations. | Chemistry (Weinheim an der Bergstrasse, Germany) 20111125 |
| Separation of geometric isomers of a dicopper complex by using a (19)F-labeled ligand: dynamics, structures, and DFT calculations. | Inorganic chemistry 20100906 |
| Light induced manganese oxidation and long-lived charge separation in a Mn2II,II-RuII(bpy)3-acceptor triad. | Journal of the American Chemical Society 20051214 |
| Ligand exchange upon oxidation of a dinuclear Mn complex--detection of structural changes by FT-IR spectroscopy and ESI-MS. | Dalton transactions (Cambridge, England : 2003) 20050321 |
| Dicopper(II) complexes of H-BPMP-type ligands: pH-induced changes of redox, spectroscopic ((19)F NMR studies of fluorinated complexes), structural properties, and catecholase activities. | Inorganic chemistry 20020211 |
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