Cas no 61546-07-4 (1H-Imidazolium, 1-hexadecyl-3-propyl-, chloride)
61546-07-4 structure
Product Name:1H-Imidazolium, 1-hexadecyl-3-propyl-, chloride
CAS No:61546-07-4
MF:C22H45ClN2
MW:373.059105634689
CID:475409
PubChem ID:71394756
Update Time:2025-04-19
1H-Imidazolium, 1-hexadecyl-3-propyl-, chloride Chemical and Physical Properties
Names and Identifiers
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- 1H-Imidazolium, 1-hexadecyl-3-propyl-, chloride
- 1-hexadecyl-3-propyl-1,2-dihydroimidazol-1-ium,chloride
- 61546-07-4
- DTXSID60816427
- 1-Hexadecyl-3-propyl-2,3-dihydro-1H-imidazol-1-ium chloride
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- Inchi： 1S/C22H44N2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-20-23(22-24)18-4-2;/h20-21H,3-19,22H2,1-2H3;1H
- InChI Key： AJHOYKCMFPZLPK-UHFFFAOYSA-N
- SMILES： [Cl-].[NH+]1(C=CN(CCC)C1)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 326.9751
- Monoisotopic Mass: 372.3271271g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 17
- Complexity: 288
- 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-hexadecyl-3-propyl-, chloride Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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