Cas no 103683-19-8 (1-Octadecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt)
103683-19-8 structure
Product Name:1-Octadecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt
CAS No:103683-19-8
MF:C27H56N2O4S
MW:504.809547424316
CID:125782
PubChem ID:2724494
Update Time:2025-04-18
1-Octadecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt Chemical and Physical Properties
Names and Identifiers
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- 1-Octadecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt
- AMMONIUM SULFOBETAINE-2, TECH., 90
- Ammonium sulfobetaine-2,tech.
- AMMONIUM SULFOBETAINE-2.,90
- Ammoniumsulairetaine-2tech.
- AMMONIUM SULFOBETAINE-2., 90
- Ammoniumsulairetaine-2tech.90%
- Ammonium sulfobetaine-2,90%,tech.
- Ammonium sulfobetaine-2, tech., 90%
- Ammonium sulfobetaine-2, 2.5% solution in water
- AKOS015903921
- 3-[acetyl-[2-[dimethyl(octadecyl)azaniumyl]ethyl]amino]propane-1-sulfonate
- Ammonium sulfobetaine-2,tech.,90
- 103683-19-8
-
- Inchi: 1S/C27H56N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(3,4)25-23-28(27(2)30)22-21-26-34(31,32)33/h5-26H2,1-4H3
- InChI Key: RHUVRHBLSZCMHE-UHFFFAOYSA-N
- SMILES: S(CCCN(C(C)=O)CC[N+](C)(C)CCCCCCCCCCCCCCCCCC)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 504.39600
- Monoisotopic Mass: 504.396
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 23
- Complexity: 575
- 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: 85.9A^2
- XLogP3: 7.8
Experimental Properties
- Color/Form: Not available
- PSA: 85.89000
- LogP: 7.18890
- Solubility: Not available
1-Octadecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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