Cas no 5436-28-2 (Quinoline, 1-oxide, hydrochloride (1:1))
5436-28-2 structure
Product Name:Quinoline, 1-oxide, hydrochloride (1:1)
CAS No:5436-28-2
MF:C9H7ClNO
MW:180.610981225967
CID:386323
PubChem ID:24182915
Update Time:2025-04-19
Quinoline, 1-oxide, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 1-oxide, hydrochloride (1:1)
- 1-oxidoquinolin-1-ium,chloride
- 5436-28-2
- DTXSID10636652
- 1-oxidoquinolin-1-ium;chloride
- NSC-21655
- NSC21655
-
- Inchi： 1S/C9H7NO.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H;1H/p-1
- InChI Key： XXRJNRHQNWATHM-UHFFFAOYSA-M
- SMILES： [Cl-].[O-][N+]1C=CC=C2C=CC=CC=12
Computed Properties
- Exact Mass: 180.02200
- Monoisotopic Mass: 180.0216165g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 138
- 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: 25.5?2
Experimental Properties
- PSA: 25.46000
- LogP: -0.72770
Quinoline, 1-oxide, hydrochloride (1:1) Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
-
Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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