Cas no 25458-37-1 (Benzenemethanaminium, N-ethyl-N-methyl-N-phenyl-, iodide)
25458-37-1 structure
Product Name:Benzenemethanaminium, N-ethyl-N-methyl-N-phenyl-, iodide
CAS No:25458-37-1
MF:C16H20IN
MW:353.241176605225
CID:1423028
PubChem ID:71446880
Update Time:2025-04-20
Benzenemethanaminium, N-ethyl-N-methyl-N-phenyl-, iodide Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanaminium, N-ethyl-N-methyl-N-phenyl-, iodide
- benzyl-ethyl-methyl-phenylazanium,iodide
- 25458-37-1
- N-Benzyl-N-ethyl-N-methylanilinium iodide
- DTXSID70855241
-
- Inchi： 1S/C16H20N.HI/c1-3-17(2,16-12-8-5-9-13-16)14-15-10-6-4-7-11-15;/h4-13H,3,14H2,1-2H3;1H/q+1;/p-1
- InChI Key： AMAISWVKYQHBKX-UHFFFAOYSA-M
- SMILES： [I-].[N+](C)(C1C=CC=CC=1)(CC)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 332.9071
- Monoisotopic Mass: 353.06405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 214
- 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: 0?2
Experimental Properties
- PSA: 0
Benzenemethanaminium, N-ethyl-N-methyl-N-phenyl-, iodide Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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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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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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