Cas no 46180-15-8 (Trethinium)
Trethinium structure
Product Name:Trethinium
Trethinium Chemical and Physical Properties
Names and Identifiers
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- Trethinium
- Isoquinolinium, 2-ethyl-1,2,3,4-tetrahydro-2-methyl-
- Q27291441
- 2-Ethyl-1,2,3,4-tetrahydro-2-methylisoquinolin-2-ium
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- Inchi： 1S/C12H18N/c1-3-13(2)9-8-11-6-4-5-7-12(11)10-13/h4-7H,3,8-10H2,1-2H3/q+1
- InChI Key： KTYUMBVKMXGUNR-UHFFFAOYSA-N
- SMILES： [N+]1(C)(CC)CC2C=CC=CC=2CC1
Computed Properties
- Exact Mass: 176.143924578g/mol
- Monoisotopic Mass: 176.143924578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 178
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 0
Trethinium Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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3. 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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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