Cas no 110592-38-6 (1-Propanesulfonic acid, 3-[(3,5-dimethoxyphenyl)amino]-)
110592-38-6 structure
Product Name:1-Propanesulfonic acid, 3-[(3,5-dimethoxyphenyl)amino]-
CAS No:110592-38-6
MF:C11H17NO5S
MW:275.321382284164
CID:1193696
PubChem ID:9878678
Update Time:2025-04-20
1-Propanesulfonic acid, 3-[(3,5-dimethoxyphenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanesulfonic acid, 3-[(3,5-dimethoxyphenyl)amino]-
- 3-(3,5-dimethoxyanilino)propane-1-sulfonic acid
- DTXSID60432242
- SCHEMBL244918
- 110592-38-6
-
- Inchi: 1S/C11H17NO5S/c1-16-10-6-9(7-11(8-10)17-2)12-4-3-5-18(13,14)15/h6-8,12H,3-5H2,1-2H3,(H,13,14,15)
- InChI Key: MENXRDLDYNLDHE-UHFFFAOYSA-N
- SMILES: S(CCCNC1C=C(C=C(C=1)OC)OC)(=O)(=O)O
Computed Properties
- Exact Mass: 275.08281
- Monoisotopic Mass: 275.08274382g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 315
- 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: 1.1
- Topological Polar Surface Area: 93.2?2
Experimental Properties
- PSA: 84.86
1-Propanesulfonic acid, 3-[(3,5-dimethoxyphenyl)amino]- Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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