Cas no 13308-45-7 (1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, acetate)
13308-45-7 structure
Product Name:1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, acetate
CAS No:13308-45-7
MF:C40H83NO2
MW:610.092533349991
CID:1231932
PubChem ID:18678091
Update Time:2025-04-20
1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, acetate Chemical and Physical Properties
Names and Identifiers
-
- 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, acetate
- dimethyl(dioctadecyl)azanium,acetate
- DTXSID90595536
- Dimethyldioctadecylammoniumacetat
- N,N-Dimethyl-N-octadecyloctadecan-1-aminium acetate
- 13308-45-7
- SCHEMBL6690219
-
- Inchi： 1S/C38H80N.C2H4O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2(3)4/h5-38H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
- InChI Key： LZTCQASULATCDM-UHFFFAOYSA-M
- SMILES： [O-]C(C)=O.[N+](C)(C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 609.64238089g/mol
- Monoisotopic Mass: 609.64238089g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 43
- Rotatable Bond Count: 34
- Complexity: 416
- 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: 40.1?2
1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, acetate Related Literature
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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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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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3. 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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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