Cas no 5855-81-2 (4-(2,4-diaminophenoxy)benzoic acid)
5855-81-2 structure
Product Name:4-(2,4-diaminophenoxy)benzoic acid
CAS No:5855-81-2
MF:C13H12N2O3
MW:244.245983123779
CID:948700
PubChem ID:21553122
Update Time:2025-04-19
4-(2,4-diaminophenoxy)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(2,4-diaminophenoxy)benzoic acid
- 2'.4'-Diamino-diphenylaether-carbonsaeure-(4)
- 4-(2,4-Diamino-phenoxy)-benzoesaeure
- 4-(2,4-diamino-phenoxy)-benzoic acid
- DB-294568
- DTXSID20615817
- 5855-81-2
-
- Inchi： 1S/C13H12N2O3/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7H,14-15H2,(H,16,17)
- InChI Key： YOQNZIGXHKERCG-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)O)=CC=1)C1C=CC(=CC=1N)N
Computed Properties
- Exact Mass: 244.08500
- Monoisotopic Mass: 244.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 290
- 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: 1.3
- Topological Polar Surface Area: 98.6?2
Experimental Properties
- PSA: 98.57000
- LogP: 3.50390
4-(2,4-diaminophenoxy)benzoic acid Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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