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850131-81-6 | 1,3-Propanediamine, N,N'-bis(phenyl-2-pyridinylmethylene)-
CAS No: 850131-81-6 Catalog No: AG004TEC MDL No:
Product Description
Catalog Number:
AG004TEC
Chemical Name:
1,3-Propanediamine, N,N'-bis(phenyl-2-pyridinylmethylene)-
CAS Number:
850131-81-6
Molecular Formula:
C27H24N4
Molecular Weight:
404.5063
IUPAC Name:
1-phenyl-N-[3-[[phenyl(pyridin-2-yl)methylidene]amino]propyl]-1-pyridin-2-ylmethanimine
InChI:
InChI=1S/C27H24N4/c1-3-12-22(13-4-1)26(24-16-7-9-18-28-24)30-20-11-21-31-27(23-14-5-2-6-15-23)25-17-8-10-19-29-25/h1-10,12-19H,11,20-21H2
InChI Key:
UAWJHBNCWMLNED-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(=NCCCN=C(c1ccccn1)c1ccccc1)c1ccccn1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.2g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.517g/mol
Monoisotopic Mass:
404.2g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
50.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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