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139361-77-6 | Benzonitrile, 4-[[4-(methyloctadecylamino)phenyl]azo]- (9CI)
CAS No: 139361-77-6 Catalog No: AG001AUW MDL No:
Product Description
Catalog Number:
AG001AUW
Chemical Name:
Benzonitrile, 4-[[4-(methyloctadecylamino)phenyl]azo]- (9CI)
CAS Number:
139361-77-6
Molecular Formula:
C32H48N4
Molecular Weight:
488.7503
IUPAC Name:
4-[[4-[methyl(octadecyl)amino]phenyl]diazenyl]benzonitrile
InChI:
InChI=1S/C32H48N4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2)32-25-23-31(24-26-32)35-34-30-21-19-29(28-33)20-22-30/h19-26H,3-18,27H2,1-2H3
InChI Key:
CHYQEATVKJRNKA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN(c1ccc(cc1)N=Nc1ccc(cc1)C#N)C
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.388g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.764g/mol
Monoisotopic Mass:
488.388g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.4
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