Cas no 93841-10-2 (1-Tetradecanaminium,N,N-bis(2-hydroxyethyl)-N-(3-sulfopropyl)-, inner salt)
93841-10-2 structure
Product Name:1-Tetradecanaminium,N,N-bis(2-hydroxyethyl)-N-(3-sulfopropyl)-, inner salt
CAS No:93841-10-2
MF:C21H45NO5S
MW:423.65070605278
CID:804769
PubChem ID:21149732
Update Time:2025-04-19
1-Tetradecanaminium,N,N-bis(2-hydroxyethyl)-N-(3-sulfopropyl)-, inner salt Chemical and Physical Properties
Names and Identifiers
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- 1-Tetradecanaminium,N,N-bis(2-hydroxyethyl)-N-(3-sulfopropyl)-, inner salt
- 3-[bis(2-hydroxyethyl)-tetradecylazaniumyl]propane-1-sulfonate
- bis(2-hydroxyethyl)(3-sulphonatopropyl)tetradecylammonium
- EINECS 298-979-4
- NS00063303
- DTXSID60239758
- 93841-10-2
-
- Inchi： 1S/C21H45NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22(17-19-23,18-20-24)16-14-21-28(25,26)27/h23-24H,2-21H2,1H3
- InChI Key： WGCAVZRGIFXOPL-UHFFFAOYSA-N
- SMILES： S(CCC[N+](CCO)(CCO)CCCCCCCCCCCCCC)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 423.301844
- Monoisotopic Mass: 423.301844
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 19
- Complexity: 439
- 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
- Topological Polar Surface Area: 134
- XLogP3: 4.7
Experimental Properties
- Density: 1.068
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.499
1-Tetradecanaminium,N,N-bis(2-hydroxyethyl)-N-(3-sulfopropyl)-, inner salt Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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