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Home > Pyridines > 129225-05-4
129225-05-4 | Piperazine, 1,1'-[2,6-pyridinediylbis(4,1-phenylenemethylene)]bis[4-methyl- (9CI)
CAS No: 129225-05-4 Catalog No: AG000YYN MDL No:
Product Description
Catalog Number:
AG000YYN
Chemical Name:
Piperazine, 1,1'-[2,6-pyridinediylbis(4,1-phenylenemethylene)]bis[4-methyl- (9CI)
CAS Number:
129225-05-4
Molecular Formula:
C29H37N5
Molecular Weight:
455.6376
IUPAC Name:
1-methyl-4-[[4-[6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-yl]phenyl]methyl]piperazine
InChI:
InChI=1S/C29H37N5/c1-31-14-18-33(19-15-31)22-24-6-10-26(11-7-24)28-4-3-5-29(30-28)27-12-8-25(9-13-27)23-34-20-16-32(2)17-21-34/h3-13H,14-23H2,1-2H3
InChI Key:
SPROCWLEXWSNFG-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1ccc(cc1)c1cccc(n1)c1ccc(cc1)CN1CCN(CC1)C
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.305g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
455.65g/mol
Monoisotopic Mass:
455.305g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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