Cas no 120139-55-1 (1-Octadecanaminium,N-[3-[acetyl(3-sulfopropyl)amino]propyl]-N,N-dimethyl-, inner salt)
![1-Octadecanaminium,N-[3-[acetyl(3-sulfopropyl)amino]propyl]-N,N-dimethyl-, inner salt structure](https://ossimg.kuujia.com/scimg/120500/120139-55-1x500.png)
120139-55-1 structure
Product Name:1-Octadecanaminium,N-[3-[acetyl(3-sulfopropyl)amino]propyl]-N,N-dimethyl-, inner salt
CAS No:120139-55-1
MF:C28H58N2O4S
MW:518.836127758026
CID:136907
PubChem ID:2724498
Update Time:2025-04-19
1-Octadecanaminium,N-[3-[acetyl(3-sulfopropyl)amino]propyl]-N,N-dimethyl-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1-Octadecanaminium,N-[3-[acetyl(3-sulfopropyl)amino]propyl]-N,N-dimethyl-, inner salt
- AMMONIUM SULFOBETAINE-4, TECH., 85
- Ammonium sulfobetaine-4,tech.
- Ammonium sulfobetaine-4,85%,tech.
- Ammonium sulfobetaine-4, tech., 85%
- Ammonium sulfobetaine-4, 1% solution in water
- 120139-55-1
- AKOS015898623
- 3-[acetyl-[3-[dimethyl(octadecyl)azaniumyl]propyl]amino]propane-1-sulfonate
- Ammonium sulfobetaine-4
-
- Inchi： 1S/C28H58N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(3,4)26-21-23-29(28(2)31)24-22-27-35(32,33)34/h5-27H2,1-4H3
- InChI Key： XLZFJPKGJHRQJL-UHFFFAOYSA-N
- SMILES： S(CCCN(C(C)=O)CCC[N+](C)(C)CCCCCCCCCCCCCCCCCC)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 518.41200
- Monoisotopic Mass: 518.412
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 2
- Rotatable Bond Count: 0
- Complexity: 10
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.7
- Topological Polar Surface Area: 85.9A^2
Experimental Properties
- Color/Form: Not available
- PSA: 85.89000
- LogP: 7.57900
- Solubility: Not available
1-Octadecanaminium,N-[3-[acetyl(3-sulfopropyl)amino]propyl]-N,N-dimethyl-, inner salt Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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