Cas no 93777-52-7 (Tris(2-hydroxyethyl)ammonium dihexadecyl phosphate)
93777-52-7 structure
Product Name:Tris(2-hydroxyethyl)ammonium dihexadecyl phosphate
CAS No:93777-52-7
MF:C38H82NO7P
MW:696.033954143524
CID:810775
PubChem ID:19800822
Update Time:2025-04-19
Tris(2-hydroxyethyl)ammonium dihexadecyl phosphate Chemical and Physical Properties
Names and Identifiers
-
- Tris(2-hydroxyethyl)ammonium dihexadecyl phosphate
- dihexadecyl phosphate,tris(2-hydroxyethyl)azanium
- NS00092283
- EINECS 298-084-9
- SCHEMBL9167368
- 93777-52-7
-
- Inchi： 1S/C32H67O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-32H2,1-2H3,(H,33,34);8-10H,1-6H2
- InChI Key： OTOYAWQBIJQTRP-UHFFFAOYSA-N
- SMILES： P(=O)([O-])(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC.OCC[NH+](CCO)CCO
Computed Properties
- Exact Mass: 695.58289095g/mol
- Monoisotopic Mass: 695.58289095g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 47
- Rotatable Bond Count: 38
- Complexity: 481
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 124?2
Experimental Properties
- Boiling Point: 756.9°C at 760 mmHg
- Flash Point: 411.6°C
- PSA: 129.50000
- LogP: 10.34790
Tris(2-hydroxyethyl)ammonium dihexadecyl phosphate Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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