Cas no 90836-13-8 (1-Propanesulfonic acid, 3-(ethylphenylamino)-2-hydroxy-)
90836-13-8 structure
Product Name:1-Propanesulfonic acid, 3-(ethylphenylamino)-2-hydroxy-
CAS No:90836-13-8
MF:C11H17NO4S
MW:259.321982145309
CID:1955355
PubChem ID:9881622
Update Time:2025-04-21
1-Propanesulfonic acid, 3-(ethylphenylamino)-2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanesulfonic acid, 3-(ethylphenylamino)-2-hydroxy-
- 3-(N-ethylanilino)-2-hydroxypropane-1-sulfonic acid
- 90836-13-8
- DTXSID20432304
- DTXCID50383133
- SCHEMBL242395
- n-ethyl-n-(2-hydroxy-3-sulfopropyl)aniline
-
- Inchi： 1S/C11H17NO4S/c1-2-12(10-6-4-3-5-7-10)8-11(13)9-17(14,15)16/h3-7,11,13H,2,8-9H2,1H3,(H,14,15,16)
- InChI Key： LHZMSRLULDAWLM-UHFFFAOYSA-N
- SMILES： S(CC(CN(C1C=CC=CC=1)CC)O)(=O)(=O)O
Computed Properties
- Exact Mass: 259.08782920Da
- Monoisotopic Mass: 259.08782920Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 306
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 86.2?2
1-Propanesulfonic acid, 3-(ethylphenylamino)-2-hydroxy- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
90836-13-8 (1-Propanesulfonic acid, 3-(ethylphenylamino)-2-hydroxy-) Related Products
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