Cas no 5428-69-3 ( )
structure
Product Name:
CAS No:5428-69-3
MF:C25H27ClN2O2
MW:422.947085618973
CID:940483
Update Time:2024-06-13
Chemical and Physical Properties
Names and Identifiers
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- 6,6'-methanediylbis(2-ethoxy-4-methylquinoline)
- Quinoline, 6,6'-methylenebis[2-ethoxy-4-methyl-, monohydrochloride (9CI)
-
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- Inchi: 1S/C25H26N2O2.ClH/c1-5-28-24-11-16(3)20-14-18(7-9-22(20)26-24)13-19-8-10-23-21(15-19)17(4)12-25(27-23)29-6-2;/h7-12,14-15H,5-6,13H2,1-4H3;1H
- InChI Key: PZEUNHICFHJAQX-UHFFFAOYSA-N
- SMILES: CC1=CC(OCC)=NC2=CC=C(CC3=CC=C4N=C(OCC)C=C(C)C4=C3)C=C12.Cl
Computed Properties
- Exact Mass: 386.19958
- Monoisotopic Mass: 421.168281
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 471
- 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: 44.2
Experimental Properties
- Density: 1.146
- Boiling Point: 551.6°C at 760 mmHg
- Flash Point: 193.4°C
- Refractive Index: 1.628
- PSA: 44.24
- LogP: 6.59000
Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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