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2657-87-6 | Benzenamine, 3-(4-aminophenoxy)-
CAS No: 2657-87-6 Catalog No: AG002TQJ MDL No:MFCD00036097
Product Description
Catalog Number:
AG002TQJ
Chemical Name:
Benzenamine, 3-(4-aminophenoxy)-
CAS Number:
2657-87-6
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD00036097
IUPAC Name:
3-(4-aminophenoxy)aniline
InChI:
InChI=1S/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H2
InChI Key:
ZBMISJGHVWNWTE-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Oc1cccc(c1)N
EC Number:
220-190-0
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and biological evaluation of glycine-based molecular tongs as inhibitors of Abeta1-40 aggregation in vitro. | Bioorganic & medicinal chemistry 20080501 |
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