Cas no 93941-94-7 ((Z)-2-Hydroxy-3-sulphonatopropyldimethyl(3-((1-oxo-9-octadecenyl)amino)propyl)ammonium)
93941-94-7 structure
Product Name:(Z)-2-Hydroxy-3-sulphonatopropyldimethyl(3-((1-oxo-9-octadecenyl)amino)propyl)ammonium
CAS No:93941-94-7
MF:C26H52N2O5S
MW:504.766487121582
CID:812278
PubChem ID:44152211
Update Time:2025-04-19
(Z)-2-Hydroxy-3-sulphonatopropyldimethyl(3-((1-oxo-9-octadecenyl)amino)propyl)ammonium Chemical and Physical Properties
Names and Identifiers
-
- (Z)-2-Hydroxy-3-sulphonatopropyldimethyl(3-((1-oxo-9-octadecenyl)amino)propyl)ammonium
- (Z)-2-hydroxy-3-sulphonatopropyldimethyl[3-[(1-oxo-9-octadecenyl)amino]propyl]ammonium
- OLEAMIDOPROPYL HYDROXYSULTAINE [INCI]
- UNII-XQE9EXI54C
- 93941-94-7
- OLEAMIDOPROPYL HYDROXYSULTAINE
- EINECS 300-543-6
- Q27293961
- XQE9EXI54C
- DTXSID101021212
- NS00064435
- (Z)-2-HYDROXY-3-SULFONATOPROPYLDIMETHYL[3-[(1-OXO-9-OCTADECENYL)AMINO]PROPYL]AMMONIUM
- SCHEMBL22572405
-
- Inchi： 1S/C26H52N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(30)27-21-19-22-28(2,3)23-25(29)24-34(31,32)33/h11-12,25,29H,4-10,13-24H2,1-3H3,(H-,27,30,31,32,33)/b12-11-
- InChI Key： CNIGBCBFYDWQHS-QXMHVHEDSA-N
- SMILES： S(CC(C[N+](C)(C)CCCNC(CCCCCCC/C=C\CCCCCCCC)=O)O)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 504.35969394g/mol
- Monoisotopic Mass: 504.35969394g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 34
- Rotatable Bond Count: 22
- Complexity: 616
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 115?2
(Z)-2-Hydroxy-3-sulphonatopropyldimethyl(3-((1-oxo-9-octadecenyl)amino)propyl)ammonium Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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