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140874-05-1 | 1,3-Benzenediamine, N1,N1,N3,N3-tetrakis(2-pyridinylmethyl)-
CAS No: 140874-05-1 Catalog No: AG001CXQ MDL No:
Product Description
Catalog Number:
AG001CXQ
Chemical Name:
1,3-Benzenediamine, N1,N1,N3,N3-tetrakis(2-pyridinylmethyl)-
CAS Number:
140874-05-1
Molecular Formula:
C30H28N6
Molecular Weight:
472.5835
IUPAC Name:
1-N,1-N,3-N,3-N-tetrakis(pyridin-2-ylmethyl)benzene-1,3-diamine
InChI:
InChI=1S/C30H28N6/c1-5-16-31-25(10-1)21-35(22-26-11-2-6-17-32-26)29-14-9-15-30(20-29)36(23-27-12-3-7-18-33-27)24-28-13-4-8-19-34-28/h1-20H,21-24H2
InChI Key:
ITTBMRNMIHJJGX-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)CN(c1cccc(c1)N(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.238g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.596g/mol
Monoisotopic Mass:
472.238g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Syntheses, characterization, and magnetic studies of copper(II) complexes with the ligand N,N,N',N'-tetrakis(2-pyridylmethyl)-1,3-benzenediamine (1,3-tpbd) and its phenol derivative 2,6-bis[bis(2-pyridylmethyl)amino]-p-cresol] (2,6-Htpcd). | Inorganic chemistry 20120102 |
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