Cas no 20284-67-7 (1-Propanaminium,N,N-dimethyl-N-[3-[(1-oxooctadecyl)amino]propyl]-3-sulfo-, inner salt)
![1-Propanaminium,N,N-dimethyl-N-[3-[(1-oxooctadecyl)amino]propyl]-3-sulfo-, inner salt structure](https://ossimg.kuujia.com/scimg/20500/20284-67-7x500.png)
20284-67-7 structure
Product Name:1-Propanaminium,N,N-dimethyl-N-[3-[(1-oxooctadecyl)amino]propyl]-3-sulfo-, inner salt
CAS No:20284-67-7
MF:C26H54N2O4S
MW:490.782967090607
CID:277087
PubChem ID:88458
Update Time:2025-04-19
1-Propanaminium,N,N-dimethyl-N-[3-[(1-oxooctadecyl)amino]propyl]-3-sulfo-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanaminium,N,N-dimethyl-N-[3-[(1-oxooctadecyl)amino]propyl]-3-sulfo-, inner salt
- 3-[dimethyl-[3-(octadecanoylamino)propyl]azaniumyl]propane-1-sulfonate
- 3-{dimethyl[3-(octadecanoylamino)propyl]ammonio}propane-1-sulfonate
- Ammonium, dimethyl(3-stearamidopropyl)(3-sulfopropyl)-, hydroxide, inner salt
- Dimethyl(3-stearamidepropyl)(3-sulphonatopropyl)ammonium
- DTXSID70174146
- 20284-67-7
- 3-[N,N-Dimethyl-(3-octadecanoylaminopropyl)ammonio]-propanesulfonate
- SCHEMBL1133985
- EINECS 243-683-2
- NS00129678
- IJUDDZYXRAJREZ-UHFFFAOYSA-N
-
- Inchi： 1S/C26H54N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(29)27-22-19-23-28(2,3)24-20-25-33(30,31)32/h4-25H2,1-3H3,(H-,27,29,30,31,32)
- InChI Key： IJUDDZYXRAJREZ-UHFFFAOYSA-N
- SMILES： S(CCC[N+](C)(C)CCCNC(CCCCCCCCCCCCCCCCC)=O)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 490.380429
- Monoisotopic Mass: 490.380429
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 33
- Rotatable Bond Count: 23
- Complexity: 546
- 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
- Topological Polar Surface Area: 94.7
- XLogP3: 7.5
1-Propanaminium,N,N-dimethyl-N-[3-[(1-oxooctadecyl)amino]propyl]-3-sulfo-, inner salt Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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