Cas no 57434-96-5 (Ethanone, 1-(8-hydroxy-5-quinolinyl)-, hydrochloride)
57434-96-5 structure
Product Name:Ethanone, 1-(8-hydroxy-5-quinolinyl)-, hydrochloride
CAS No:57434-96-5
MF:C11H10ClNO2
MW:223.655601978302
CID:345366
PubChem ID:20026880
Update Time:2025-04-19
Ethanone, 1-(8-hydroxy-5-quinolinyl)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(8-hydroxy-5-quinolinyl)-, hydrochloride
- 1-(8-hydroxyquinolin-5-yl)ethanone,hydrochloride
- 5-Acetyl-8-hydroxyquinoline hydrochloride
- CHEMBL3251405
- 1-(8-Hydroxyquinolin-5-yl)ethan-1-one--hydrogen chloride (1/1)
- DTXSID40601792
- 57434-96-5
- CMMQQJLOZBNXKC-UHFFFAOYSA-N
- SCHEMBL3310696
-
- Inchi： 1S/C11H9NO2.ClH/c1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11;/h2-6,14H,1H3;1H
- InChI Key： CMMQQJLOZBNXKC-UHFFFAOYSA-N
- SMILES： Cl.OC1=CC=C(C(C)=O)C2=CC=CN=C21
Computed Properties
- Exact Mass: 223.0401
- Monoisotopic Mass: 223.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 229
- 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: 50.2?2
Experimental Properties
- PSA: 50.19
Ethanone, 1-(8-hydroxy-5-quinolinyl)-, hydrochloride Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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