Cas no 88552-97-0 (1-Octadecanaminium, 3-hydroxy-N,N,N-trimethyl-, iodide)
88552-97-0 structure
Product Name:1-Octadecanaminium, 3-hydroxy-N,N,N-trimethyl-, iodide
CAS No:88552-97-0
MF:C21H46INO
MW:455.500519275665
CID:628970
PubChem ID:15715922
Update Time:2025-04-19
1-Octadecanaminium, 3-hydroxy-N,N,N-trimethyl-, iodide Chemical and Physical Properties
Names and Identifiers
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- 1-Octadecanaminium, 3-hydroxy-N,N,N-trimethyl-, iodide
- 3-hydroxyoctadecyl(trimethyl)azanium,iodide
- 3-Hydroxy-N,N,N-trimethyloctadecan-1-aminium iodide
- DTXSID90577276
- 88552-97-0
-
- Inchi： 1S/C21H46NO.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(2,3)4;/h21,23H,5-20H2,1-4H3;1H/q+1;/p-1
- InChI Key： PRMMIQSXIVIHLD-UHFFFAOYSA-M
- SMILES： [I-].OC(CCCCCCCCCCCCCCC)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 455.26241g/mol
- Monoisotopic Mass: 455.26241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 17
- Complexity: 235
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2?2
1-Octadecanaminium, 3-hydroxy-N,N,N-trimethyl-, iodide Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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