Cas no 61546-04-1 (1H-Imidazolium, 1-ethyl-3-hexadecyl-, chloride)
61546-04-1 structure
Product Name:1H-Imidazolium, 1-ethyl-3-hexadecyl-, chloride
CAS No:61546-04-1
MF:C21H43ClN2
MW:359.03252530098
CID:475412
PubChem ID:71394759
Update Time:2025-04-19
1H-Imidazolium, 1-ethyl-3-hexadecyl-, chloride Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazolium, 1-ethyl-3-hexadecyl-, chloride
- 1-ethyl-3-hexadecyl-1,2-dihydroimidazol-1-ium,chloride
- DTXSID90816430
- 61546-04-1
- 1-Ethyl-3-hexadecyl-2,3-dihydro-1H-imidazol-1-ium chloride
-
- Inchi： 1S/C21H42N2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(4-2)21-23;/h19-20H,3-18,21H2,1-2H3;1H
- InChI Key： NSNDKMBITSHRLZ-UHFFFAOYSA-N
- SMILES： [Cl-].[NH+]1(C=CN(CCCCCCCCCCCCCCCC)C1)CC
Computed Properties
- Exact Mass: 314.9751
- Monoisotopic Mass: 358.3114771g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 16
- Complexity: 275
- 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: 7.7?2
Experimental Properties
- PSA: 9.14
1H-Imidazolium, 1-ethyl-3-hexadecyl-, chloride Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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