Cas no 6956-71-4 (8-Quinolinol,5,5'-methylenebis[2-methyl-, dihydrochloride (9CI))
6956-71-4 structure
Product Name:8-Quinolinol,5,5'-methylenebis[2-methyl-, dihydrochloride (9CI)
CAS No:6956-71-4
MF:C21H19ClN2O2
MW:366.840764284134
CID:510982
PubChem ID:54612065
Update Time:2025-04-19
8-Quinolinol,5,5'-methylenebis[2-methyl-, dihydrochloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5-[(8-hydroxy-2-methylquinolin-5-yl)methyl]-2-methylquinolin-8-ol,hydrochloride
- NSC66810
- NSC-66810
- DTXSID50715470
- 5,5'-Methylenebis(2-methylquinolin-8-ol)--hydrogen chloride (1/1)
- 6956-71-4
- 8-Quinolinol,5,5'-methylenebis[2-methyl-, dihydrochloride (9CI)
-
- Inchi： 1S/C21H18N2O2.ClH/c1-12-3-7-16-14(5-9-18(24)20(16)22-12)11-15-6-10-19(25)21-17(15)8-4-13(2)23-21;/h3-10,24-25H,11H2,1-2H3;1H
- InChI Key： PIRXEUIPNNBNOA-UHFFFAOYSA-N
- SMILES： Cl.OC1=CC=C(C2=CC=C(C)N=C21)CC1=CC=C(C2C1=CC=C(C)N=2)O
Computed Properties
- Exact Mass: 330.13694
- Monoisotopic Mass: 366.114
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 2
- Complexity: 419
- 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: 66.2A^2
Experimental Properties
- Density: 1.306
- Boiling Point: 580°Cat760mmHg
- Flash Point: 304.6°C
- Refractive Index: 1.728
- PSA: 66.24
- LogP: 5.20380
8-Quinolinol,5,5'-methylenebis[2-methyl-, dihydrochloride (9CI) Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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