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201049-88-9 | 2,6-Pyridinediamine, N2,N6-bis[6-(2-pyridinylamino)-2-pyridinyl]-
CAS No: 201049-88-9 Catalog No: AG002D64 MDL No:
Product Description
Catalog Number:
AG002D64
Chemical Name:
2,6-Pyridinediamine, N2,N6-bis[6-(2-pyridinylamino)-2-pyridinyl]-
CAS Number:
201049-88-9
Molecular Formula:
C25H21N9
Molecular Weight:
447.4945
IUPAC Name:
2-N-pyridin-2-yl-6-N-[6-[[6-(pyridin-2-ylamino)pyridin-2-yl]amino]pyridin-2-yl]pyridine-2,6-diamine
InChI:
InChI=1S/C25H21N9/c1-3-16-26-18(8-1)28-20-10-5-12-22(30-20)32-24-14-7-15-25(34-24)33-23-13-6-11-21(31-23)29-19-9-2-4-17-27-19/h1-17H,(H4,26,27,28,29,30,31,32,33,34)
InChI Key:
LJTWEIHGSNHZLJ-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)Nc1cccc(n1)Nc1cccc(n1)Nc1cccc(n1)Nc1ccccn1
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.192g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
447.506g/mol
Monoisotopic Mass:
447.192g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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