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141801-43-6 | Propanedinitrile, 2-[[4-[2-[4-(hexadecylamino)phenyl]diazenyl]phenyl]methylene]-
CAS No: 141801-43-6 Catalog No: AG001H79 MDL No:
Product Description
Catalog Number:
AG001H79
Chemical Name:
Propanedinitrile, 2-[[4-[2-[4-(hexadecylamino)phenyl]diazenyl]phenyl]methylene]-
CAS Number:
141801-43-6
Molecular Formula:
C32H43N5
Molecular Weight:
497.7173
IUPAC Name:
2-[[4-[[4-(hexadecylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile
InChI:
InChI=1S/C32H43N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-35-30-20-22-32(23-21-30)37-36-31-18-16-28(17-19-31)25-29(26-33)27-34/h16-23,25,35H,2-15,24H2,1H3
InChI Key:
XPAPIQMBGNVRED-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCNc1ccc(cc1)N=Nc1ccc(cc1)C=C(C#N)C#N
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.352g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
497.731g/mol
Monoisotopic Mass:
497.352g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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