Cas no 514801-92-4 (Benzeneacetic acid, 4-(3-aminophenoxy)-, methyl ester)
514801-92-4 structure
Product Name:Benzeneacetic acid, 4-(3-aminophenoxy)-, methyl ester
CAS No:514801-92-4
MF:C15H15NO3
MW:257.284504175186
CID:1575102
PubChem ID:26189130
Update Time:2025-04-21
Benzeneacetic acid, 4-(3-aminophenoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 4-(3-aminophenoxy)-, methyl ester
- Methyl 2-[4-(2-aminophenoxy)phenyl]acetate
- DTXSID201277604
- AKOS015855613
- 946682-19-5
- Methyl 4-(2-aminophenoxy)benzeneacetate
- 514801-92-4
- Methyl 2-(4-(2-aminophenoxy)phenyl)acetate
- Benzeneacetic acid, 4-(2-aminophenoxy)-, methyl ester
-
- Inchi： 1S/C15H15NO3/c1-18-15(17)10-11-6-8-12(9-7-11)19-14-5-3-2-4-13(14)16/h2-9H,10,16H2,1H3
- InChI Key： GIRDVDVVIYAPND-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1N)C1C=CC(=CC=1)CC(=O)OC
Computed Properties
- Exact Mass: 257.10525
- Monoisotopic Mass: 257.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 287
- 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: 2.2
- Topological Polar Surface Area: 61.6?2
Experimental Properties
- PSA: 61.55
Benzeneacetic acid, 4-(3-aminophenoxy)-, methyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Jason Wan Lab Chip, 2020,20, 4528-4538
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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