Cas no 94159-72-5 (1-Propanaminium,N,N,2,2-tetramethyl-3-[(1-oxo-2-propen-1-yl)oxy]-N-(3-sulfopropyl)-, inner salt)
![1-Propanaminium,N,N,2,2-tetramethyl-3-[(1-oxo-2-propen-1-yl)oxy]-N-(3-sulfopropyl)-, inner salt structure](https://ossimg.kuujia.com/scimg/94500/94159-72-5x500.png)
94159-72-5 structure
Product Name:1-Propanaminium,N,N,2,2-tetramethyl-3-[(1-oxo-2-propen-1-yl)oxy]-N-(3-sulfopropyl)-, inner salt
CAS No:94159-72-5
MF:C11H21NO5S
MW:279.353142499924
CID:815723
PubChem ID:44148870
Update Time:2025-04-19
1-Propanaminium,N,N,2,2-tetramethyl-3-[(1-oxo-2-propen-1-yl)oxy]-N-(3-sulfopropyl)-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanaminium,N,N,2,2-tetramethyl-3-[(1-oxo-2-propen-1-yl)oxy]-N-(3-sulfopropyl)-, inner salt
- 2,2-dimethyl-3-[(1-oxoallyl)oxy]propyl(3-sulphonatopropyl)ammonium
- 3-[(2,2-dimethyl-3-prop-2-enoyloxypropyl)azaniumyl]propane-1-sulfonate
- DTXSID60240884
- EINECS 303-252-2
- 94159-72-5
- 2,2-Dimethyl-3-((1-oxoallyl)oxy)propyl(3-sulphonatopropyl)ammonium
- NS00065544
-
- Inchi： 1S/C11H21NO5S/c1-4-10(13)17-9-11(2,3)8-12-6-5-7-18(14,15)16/h4,12H,1,5-9H2,2-3H3,(H,14,15,16)
- InChI Key： ZWHWRTBPFOKFAG-UHFFFAOYSA-N
- SMILES： S(CCC[NH2+]CC(C)(C)COC(C=C)=O)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 279.11404394g/mol
- Monoisotopic Mass: 279.11404394g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 356
- 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: -1.7
- Topological Polar Surface Area: 109?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
1-Propanaminium,N,N,2,2-tetramethyl-3-[(1-oxo-2-propen-1-yl)oxy]-N-(3-sulfopropyl)-, inner salt Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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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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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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