Cas no 65087-20-9 (cyclohexyldiethylammonium sulphate (2:1))
65087-20-9 structure
Product Name:cyclohexyldiethylammonium sulphate (2:1)
CAS No:65087-20-9
MF:C20H44N2O4S
MW:408.639365196228
CID:1684069
PubChem ID:103171
Update Time:2025-04-21
cyclohexyldiethylammonium sulphate (2:1) Chemical and Physical Properties
Names and Identifiers
-
- cyclohexyldiethylammonium sulphate (2:1)
- Cyclohexanamine, N,N-diethyl-, sulfate (2:1)
- N,N-Diethylcyclohexylamine, sulfate (2:1)
- N,N-diethylcyclohexanamine sulfate (2:1)
- 1,2,3-trichloropropan-2-yl furan-2-carboxylate
- 65087-20-9
- DTXSID8070203
- EINECS 265-403-8
-
- Inchi： 1S/2C10H21N.H2O4S/c2*1-3-11(4-2)10-8-6-5-7-9-10;1-5(2,3)4/h2*10H,3-9H2,1-2H3;(H2,1,2,3,4)
- InChI Key： BGBIUUBEZRRSNJ-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)O.N(CC)(CC)C1CCCCC1.N(CC)(CC)C1CCCCC1
Computed Properties
- Exact Mass: 408.30242
- Monoisotopic Mass: 408.30217906g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 6
- Complexity: 172
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 89.5?2
Experimental Properties
- PSA: 89.14
cyclohexyldiethylammonium sulphate (2:1) Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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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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