Cas no 5535-22-8 (Phenol, 4-(2-aminophenoxy)-)
Phenol, 4-(2-aminophenoxy)- structure
Product Name:Phenol, 4-(2-aminophenoxy)-
CAS No:5535-22-8
MF:C12H11NO2
MW:201.221243143082
CID:1595822
Update Time:2024-09-11
Phenol, 4-(2-aminophenoxy)- Chemical and Physical Properties
Names and Identifiers
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- Phenol, 4-(2-aminophenoxy)-
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- Inchi： 1S/C12H11NO2/c13-11-3-1-2-4-12(11)15-10-7-5-9(14)6-8-10/h1-8,14H,13H2
- InChI Key： PGGSIZQNIKRQFH-UHFFFAOYSA-N
- SMILES： C1(O)=CC=C(OC2=CC=CC=C2N)C=C1
Computed Properties
- Exact Mass: 201.07903
- Monoisotopic Mass: 201.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 55.5A^2
Experimental Properties
- Density: 1.251±0.06 g/cm3(Predicted)
- Melting Point: 175-176 °C
- Boiling Point: 352.2±27.0 °C(Predicted)
- PSA: 55.48
- pka: 10.00±0.15(Predicted)
Phenol, 4-(2-aminophenoxy)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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