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16523-28-7 | Phenol, 4,4'-methylenebis[2-amino-
CAS No: 16523-28-7 Catalog No: AG001W01 MDL No:MFCD00443347
Product Description
Catalog Number:
AG001W01
Chemical Name:
Phenol, 4,4'-methylenebis[2-amino-
CAS Number:
16523-28-7
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD00443347
IUPAC Name:
2-amino-4-[(3-amino-4-hydroxyphenyl)methyl]phenol
InChI:
InChI=1S/C13H14N2O2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7,16-17H,5,14-15H2
InChI Key:
KCFVSHSJPIVGCG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1N)Cc1ccc(c(c1)N)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Small molecule AKAP-protein kinase A (PKA) interaction disruptors that activate PKA interfere with compartmentalized cAMP signaling in cardiac myocytes. | The Journal of biological chemistry 20110318 |
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