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126229-89-8 | Benzenamine, 4-[2-(4-nitrophenyl)ethenyl]-N,N-dioctadecyl-
CAS No: 126229-89-8 Catalog No: AG000SDO MDL No:
Product Description
Catalog Number:
AG000SDO
Chemical Name:
Benzenamine, 4-[2-(4-nitrophenyl)ethenyl]-N,N-dioctadecyl-
CAS Number:
126229-89-8
Molecular Formula:
C50H84N2O2
Molecular Weight:
745.2142
IUPAC Name:
4-[2-(4-nitrophenyl)ethenyl]-N,N-dioctadecylaniline
InChI:
InChI=1S/C50H84N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45-51(46-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)49-41-37-47(38-42-49)35-36-48-39-43-50(44-40-48)52(53)54/h35-44H,3-34,45-46H2,1-2H3
InChI Key:
FKZHKQYCPRZNHM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN(c1ccc(cc1)C=Cc1ccc(cc1)[N+](=O)[O-])CCCCCCCCCCCCCCCCCC
Properties
Complexity:
787
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
744.653g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
745.234g/mol
Monoisotopic Mass:
744.653g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
21.8
Literature
| Title | Journal |
|---|---|
| Pure and mixed films of a nitrostilbene derivative at the air-water interface, Langmuir-Blodgett multilayer fabrication, and optical characterization. | Journal of colloid and interface science 20070401 |
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