Cas no 14510-00-0 (Benzoic acid,4-amino-2-hydroxy-, 2-hydroxyethyl ester)
14510-00-0 structure
Product Name:Benzoic acid,4-amino-2-hydroxy-, 2-hydroxyethyl ester
CAS No:14510-00-0
MF:C9H11NO4
MW:197.187942743301
CID:139906
PubChem ID:203464
Update Time:2025-04-19
Benzoic acid,4-amino-2-hydroxy-, 2-hydroxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-amino-2-hydroxy-, 2-hydroxyethyl ester
- 2-hydroxyethyl 4-amino-2-hydroxybenzoate
- Pas beta-oxyaethyl ester
- 2-Hydroxyethyl p-aminosalicylate
- DTXSID00162879
- 3-14-00-01438 (Beilstein Handbook Reference)
- 14510-00-0
- Salicylic acid, amino-, 2-hydroxyethyl ester
- Pas beta-oxyaethyl ester [German]
- BRN 2968608
-
- Inchi： 1S/C9H11NO4/c10-6-1-2-7(8(12)5-6)9(13)14-4-3-11/h1-2,5,11-12H,3-4,10H2
- InChI Key： QOKFTPXJXYSLPB-UHFFFAOYSA-N
- SMILES： O(CCO)C(C1C=CC(=CC=1O)N)=O
Computed Properties
- Exact Mass: 197.06883
- Monoisotopic Mass: 197.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 197
- 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
- Topological Polar Surface Area: 92.8?2
Experimental Properties
- Density: 1.388
- Boiling Point: 431.5°C at 760 mmHg
- Flash Point: 214.8°C
- Refractive Index: 1.626
- PSA: 92.78
Benzoic acid,4-amino-2-hydroxy-, 2-hydroxyethyl ester Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
14510-00-0 (Benzoic acid,4-amino-2-hydroxy-, 2-hydroxyethyl ester) Related Products
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