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79118-48-2 | Benzenamine, 4-[[4-[(4-butylphenyl)azo]phenyl]azo]-N,N-diethyl-
CAS No: 79118-48-2 Catalog No: AG0053I8 MDL No:
Product Description
Catalog Number:
AG0053I8
Chemical Name:
Benzenamine, 4-[[4-[(4-butylphenyl)azo]phenyl]azo]-N,N-diethyl-
CAS Number:
79118-48-2
Molecular Formula:
C26H31N5
Molecular Weight:
413.5578
IUPAC Name:
4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-N,N-diethylaniline
InChI:
InChI=1S/C26H31N5/c1-4-7-8-21-9-11-22(12-10-21)27-28-23-13-15-24(16-14-23)29-30-25-17-19-26(20-18-25)31(5-2)6-3/h9-20H,4-8H2,1-3H3
InChI Key:
KLQNQFKKSCRIPR-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)N=Nc1ccc(cc1)N=Nc1ccc(cc1)N(CC)CC
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.258g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.569g/mol
Monoisotopic Mass:
413.258g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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