Cas no 104702-32-1 (Phosphoric acid,monohexyl mono[2-(methylamino)ethyl] ester)
![Phosphoric acid,monohexyl mono[2-(methylamino)ethyl] ester structure](https://ossimg.kuujia.com/scimg/105000/104702-32-1x500.png)
104702-32-1 structure
Product Name:Phosphoric acid,monohexyl mono[2-(methylamino)ethyl] ester
CAS No:104702-32-1
MF:C9H22NO4P
MW:239.249043941498
CID:168221
PubChem ID:452226
Update Time:2025-04-19
Phosphoric acid,monohexyl mono[2-(methylamino)ethyl] ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphoric acid,monohexyl mono[2-(methylamino)ethyl] ester
- hexyl 2-(methylazaniumyl)ethyl phosphate
- DTXSID70146666
- Phosphoric acid, monohexyl mono(2-(methylamino)ethyl) ester
- 104702-32-1
- Hexyl-N-Me-Cephalin
- Phosphoric acid, monohexyl mono[2-(methylamino)ethyl] ester
- Hexyl-phosphatidyl-N-methyl-ethanolamine
- hexyl 2-(methylamino)ethyl hydrogen phosphate
-
- Inchi： 1S/C9H22NO4P/c1-3-4-5-6-8-13-15(11,12)14-9-7-10-2/h10H,3-9H2,1-2H3,(H,11,12)
- InChI Key： NYGAMHRIFHIGKG-UHFFFAOYSA-N
- SMILES： P(=O)([O-])(OCC[NH2+]C)OCCCCCC
Computed Properties
- Exact Mass: 238.12093
- Monoisotopic Mass: 239.129
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 10
- Complexity: 181
- 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
- XLogP3: 0.8
- Topological Polar Surface Area: 75.2?2
Experimental Properties
- Density: 1.086
- Boiling Point: 328.8°Cat760mmHg
- Flash Point: 152.7°C
- Refractive Index: 1.45
- PSA: 70.62
- LogP: 2.31060
Phosphoric acid,monohexyl mono[2-(methylamino)ethyl] ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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