Cas no 25351-19-3 (1-Pentanaminium,N,N,N-trimethyl-3-oxo-, iodide (1:1))
25351-19-3 structure
Product Name:1-Pentanaminium,N,N,N-trimethyl-3-oxo-, iodide (1:1)
CAS No:25351-19-3
MF:C8H18INO
MW:271.139094829559
CID:260720
PubChem ID:32905
Update Time:2025-04-19
1-Pentanaminium,N,N,N-trimethyl-3-oxo-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanaminium,N,N,N-trimethyl-3-oxo-, iodide (1:1)
- trimethyl(3-oxopentyl)azanium,iodide
- Ammonium, trimethyl(3-oxopentyl)-, iodide
- AMMONIUM, (3-OXOPENTYL)TRIMETHYL-, IODIDE
- N,N,N-Trimethyl-3-oxo-1-pentanaminium iodide
- 25351-19-3
- DTXSID00948195
- (3-Oxopentyl)trimethylammonium iodide
- N,N,N-Trimethyl-3-oxopentan-1-aminium iodide
- 1-Pentanaminium, N,N,N-trimethyl-3-oxo-, iodide
- 3-Ketoamyltrimethylammonium iodide
-
- Inchi： 1S/C8H18NO.HI/c1-5-8(10)6-7-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
- InChI Key： ZJXYBOYDXJULBT-UHFFFAOYSA-M
- SMILES： [I-].O=C(CC)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 252.902
- Monoisotopic Mass: 271.043307
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 113
- 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: 17.1
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 17.07
1-Pentanaminium,N,N,N-trimethyl-3-oxo-, iodide (1:1) Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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