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87523-52-2 | Benzenemethanamine, N,N'-(azodi-4,1-phenylene)bis[4-(heptyloxy)-
CAS No: 87523-52-2 Catalog No: AG004HAM MDL No:
Product Description
Catalog Number:
AG004HAM
Chemical Name:
Benzenemethanamine, N,N'-(azodi-4,1-phenylene)bis[4-(heptyloxy)-
CAS Number:
87523-52-2
Molecular Formula:
C40H52N4O2
Molecular Weight:
620.8665
IUPAC Name:
N-[(4-heptoxyphenyl)methyl]-4-[[4-[(4-heptoxyphenyl)methylamino]phenyl]diazenyl]aniline
InChI:
InChI=1S/C40H52N4O2/c1-3-5-7-9-11-29-45-39-25-13-33(14-26-39)31-41-35-17-21-37(22-18-35)43-44-38-23-19-36(20-24-38)42-32-34-15-27-40(28-16-34)46-30-12-10-8-6-4-2/h13-28,41-42H,3-12,29-32H2,1-2H3
InChI Key:
HZYJEDYSWKSPHG-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)CNc1ccc(cc1)N=Nc1ccc(cc1)NCc1ccc(cc1)OCCCCCCC
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
620.409g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
620.882g/mol
Monoisotopic Mass:
620.409g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.3
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