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116350-27-7 | Propanedinitrile, 2-[[4-[2-[4-(dibutylamino)phenyl]diazenyl]phenyl]methylene]-
CAS No: 116350-27-7 Catalog No: AG000C9J MDL No:
Product Description
Catalog Number:
AG000C9J
Chemical Name:
Propanedinitrile, 2-[[4-[2-[4-(dibutylamino)phenyl]diazenyl]phenyl]methylene]-
CAS Number:
116350-27-7
Molecular Formula:
C24H27N5
Molecular Weight:
385.5047
IUPAC Name:
2-[[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile
InChI:
InChI=1S/C24H27N5/c1-3-5-15-29(16-6-4-2)24-13-11-23(12-14-24)28-27-22-9-7-20(8-10-22)17-21(18-25)19-26/h7-14,17H,3-6,15-16H2,1-2H3
InChI Key:
ZVFGGAPULIZLOY-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(cc1)N=Nc1ccc(cc1)C=C(C#N)C#N)CCCC
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.227g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.515g/mol
Monoisotopic Mass:
385.227g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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