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3491-12-1 | 1,4-Bis(4-aminophenoxy)benzene
CAS No: 3491-12-1 Catalog No: AG003B0F MDL No:MFCD00039153
Product Description
Catalog Number:
AG003B0F
Chemical Name:
1,4-Bis(4-aminophenoxy)benzene
CAS Number:
3491-12-1
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
MDL Number:
MFCD00039153
IUPAC Name:
4-[4-(4-aminophenoxy)phenoxy]aniline
InChI:
InChI=1S/C18H16N2O2/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2
InChI Key:
JCRRFJIVUPSNTA-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 1,4-Bis(4-amino-phen-oxy)benzene. | Acta crystallographica. Section E, Structure reports online 20080301 |
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