Cas no 128917-83-9 (1-Decanaminium,N-(2-hydroxy-3-sulfopropyl)-N-methyl-N-octyl-, inner salt)
128917-83-9 structure
Product Name:1-Decanaminium,N-(2-hydroxy-3-sulfopropyl)-N-methyl-N-octyl-, inner salt
CAS No:128917-83-9
MF:C22H47NO4S
MW:421.677886247635
CID:183650
PubChem ID:3045257
Update Time:2025-04-19
1-Decanaminium,N-(2-hydroxy-3-sulfopropyl)-N-methyl-N-octyl-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1-Decanaminium,N-(2-hydroxy-3-sulfopropyl)-N-methyl-N-octyl-, inner salt
- 3-(decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate
- ZT1
- 1-Decanaminium, N-(2-hydroxy-3-sulfopropyl)-N-methyl-N-octyl-, inner salt
- 128917-83-9
-
- Inchi： 1S/C22H47NO4S/c1-4-6-8-10-12-13-15-17-19-23(3,18-16-14-11-9-7-5-2)20-22(24)21-28(25,26)27/h22,24H,4-21H2,1-3H3
- InChI Key： BEMNDJYDCXUPAK-UHFFFAOYSA-N
- SMILES： S(CC(C[N+](C)(CCCCCCCC)CCCCCCCCCC)O)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 421.32281
- Monoisotopic Mass: 421.323
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 19
- Complexity: 437
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 85.8?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 77.43
1-Decanaminium,N-(2-hydroxy-3-sulfopropyl)-N-methyl-N-octyl-, inner salt Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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