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101-22-4 | Urea, N,N'-bis(3-aminophenyl)-
CAS No: 101-22-4 Catalog No: AG0003FN MDL No:
Product Description
Catalog Number:
AG0003FN
Chemical Name:
Urea, N,N'-bis(3-aminophenyl)-
CAS Number:
101-22-4
Molecular Formula:
C13H14N4O
Molecular Weight:
242.2765
IUPAC Name:
1,3-bis(3-aminophenyl)urea
InChI:
InChI=1S/C13H14N4O/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8H,14-15H2,(H2,16,17,18)
InChI Key:
IKLYNYSRJGANON-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)N)Nc1cccc(c1)N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
242.282g/mol
Monoisotopic Mass:
242.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Discovery of the first small molecule inhibitor of human DDX3 specifically designed to target the RNA binding site: towards the next generation HIV-1 inhibitors. | Bioorganic & medicinal chemistry letters 20120301 |
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