Cas no 103244-46-8 (1-Octanaminium, N-methyl-N,N-dioctyl-, formate)
103244-46-8 structure
Product Name:1-Octanaminium, N-methyl-N,N-dioctyl-, formate
CAS No:103244-46-8
MF:C26H55NO2
MW:413.720408678055
CID:1136318
PubChem ID:71332954
Update Time:2025-04-20
1-Octanaminium, N-methyl-N,N-dioctyl-, formate Chemical and Physical Properties
Names and Identifiers
-
- 1-Octanaminium, N-methyl-N,N-dioctyl-, formate
- methyl(trioctyl)azanium,formate
- SCHEMBL5346399
- 103244-46-8
- DTXSID00761301
- N-Methyl-N,N-dioctyloctan-1-aminium formate
-
- Inchi： 1S/C25H54N.CH2O2/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;2-1-3/h5-25H2,1-4H3;1H,(H,2,3)/q+1;/p-1
- InChI Key： CECWRXGFOKCKTO-UHFFFAOYSA-M
- SMILES： [O-]C=O.[N+](C)(CCCCCCCC)(CCCCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 413.42355
- Monoisotopic Mass: 413.42328000g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- Rotatable Bond Count: 21
- Complexity: 228
- 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
Experimental Properties
- PSA: 40.13
1-Octanaminium, N-methyl-N,N-dioctyl-, formate Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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