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114192-13-1 | 1,4-Benzenediamine, N1-[4-[(3-methoxyphenyl)amino]phenyl]-N4-phenyl-
CAS No: 114192-13-1 Catalog No: AG000AS7 MDL No:
Product Description
Catalog Number:
AG000AS7
Chemical Name:
1,4-Benzenediamine, N1-[4-[(3-methoxyphenyl)amino]phenyl]-N4-phenyl-
CAS Number:
114192-13-1
Molecular Formula:
C25H23N3O
Molecular Weight:
381.4696
IUPAC Name:
4-N-[4-(3-methoxyanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
InChI:
InChI=1S/C25H23N3O/c1-29-25-9-5-8-24(18-25)28-23-16-14-22(15-17-23)27-21-12-10-20(11-13-21)26-19-6-3-2-4-7-19/h2-18,26-28H,1H3
InChI Key:
PILHOCZIRBPXCY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Nc1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.184g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
381.479g/mol
Monoisotopic Mass:
381.184g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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